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Chemical ID: 7177677
Chemical ID:
7177677
Name [?]:
1-(4-methoxyphenyl)sulfonylpiperidin-4-amine
SMILES [?]:
COc1ccc(cc1)S(=O)(=O)N2CCC(CC2)N
InChi [?]:
InChI=1/C12H18N2O3S/c1-17-11-2-4-12(5-3-11)18(15,16)14-8-6-10(13)7-9-14/h2-5,10H,6-9,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,8,5,7,14,16,13,17,15,3,6,18,12,10,11,2,9/E:(2,3)(4,5)(6,7)(8,9)(15,16)/CRV:18.6/rA:18nCOCCCCCCSOONCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;s14;s15;s12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O3S |
All Atoms: | 36 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.50101 |
Area: | 438.369 |
Solvation: | -3.45821 |
Coulombic: | -26.2377 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 270.349 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.79 |
LogP (Chemaxon): | 0.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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