Chemical ID: 7177677

COc1ccc(cc1)S(=O)(=O)N2CCC(CC2)N
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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Descriptor Annotations

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