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Chemical ID: 5518059
Chemical ID:
5518059
Name [?]:
N-(3-methylsulfanylphenyl)cyclopentanecarboxamide
SMILES [?]:
CSc1cccc(c1)NC(=O)C2CCCC2
InChi [?]:
InChI=1/C13H17NOS/c1-16-12-8-4-7-11(9-12)14-13(15)10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,15,5,13,16,6,4,8,12,7,3,10,9,11,2/E:(2,3)(5,6)/rA:16nCSCCCCCCNCOCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17NOS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.71503 |
Area: | 423.376 |
Solvation: | -1.86938 |
Coulombic: | -21.9997 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 235.346 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.36 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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