1-amino-3-(3-methylphenyl)sulfanylcyclopentane-1-carboxamide

C13H18N2OS — CID 79653394

IUPAC1-amino-3-(3-methylphenyl)sulfanylcyclopentane-1-carboxamide
SMILESCc1cccc(SC2CCC(N)(C(N)=O)C2)c1
InChIInChI=1S/C13H18N2OS/c1-9-3-2-4-10(7-9)17-11-5-6-13(15,8-11)12(14)16/h2-4,7,11H,5-6,8,15H2,1H3,(H2,14,16)
InChIKeyCZCBHNAJNVLHGK-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.82
Rot. Bonds3

About 1-amino-3-(3-methylphenyl)sulfanylcyclopentane-1-carboxamide

1-amino-3-(3-methylphenyl)sulfanylcyclopentane-1-carboxamide (PubChem CID 79653394) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-amino-3-(3-methylphenyl)sulfanylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(3-methylphenyl)sulfanylcyclopentane-1-carboxamide
PubChem CID79653394
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name1-amino-3-(3-methylphenyl)sulfanylcyclopentane-1-carboxamide
SMILESCc1cccc(SC2CCC(N)(C(N)=O)C2)c1
InChIInChI=1S/C13H18N2OS/c1-9-3-2-4-10(7-9)17-11-5-6-13(15,8-11)12(14)16/h2-4,7,11H,5-6,8,15H2,1H3,(H2,14,16)
InChIKeyCZCBHNAJNVLHGK-UHFFFAOYSA-N
XLogP1.82
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(4-methylphenyl)sulfanylcyclopentane-1-carboxylic acid
CID 79654079
methyl 3-(3-methylphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79645969
1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide
CID 79653434
1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide
CID 79635792
1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide
CID 79656985
methyl 1-amino-3-(3,4-difluorophenyl)sulfanylcyclopentane-1-carboxylate
CID 79654291
3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79654347
[3-(3-methylphenyl)sulfanyl-1-(propylamino)cyclohexyl]methanol
CID 79640289
3-(3-methylphenyl)sulfanylcyclopentan-1-one
CID 64724457
2-(3-methylphenyl)sulfanylcyclopentan-1-ol
CID 61244535
1-methyl-4-(3-methylphenyl)sulfanylpiperidine
CID 142206872
trans-(1S,2S)-2-(3-methylphenyl)sulfanylcyclohexan-1-ol
CID 102732787

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-methylphenyl)sulfanylcyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-(3-methylphenyl)sulfanylcyclopentane-1-carboxamide (CID 79653394) is 1-amino-3-(3-methylphenyl)sulfanylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(3-methylphenyl)sulfanylcyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-(3-methylphenyl)sulfanylcyclopentane-1-carboxamide is Cc1cccc(SC2CCC(N)(C(N)=O)C2)c1.
What is the InChIKey of 1-amino-3-(3-methylphenyl)sulfanylcyclopentane-1-carboxamide?
The InChIKey is CZCBHNAJNVLHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9-3-2-4-10(7-9)17-11-5-6-13(15,8-11)12(14)16/h2-4,7,11H,5-6,8,15H2,1H3,(H2,14,16).
What are the key properties of 1-amino-3-(3-methylphenyl)sulfanylcyclopentane-1-carboxamide?
1-amino-3-(3-methylphenyl)sulfanylcyclopentane-1-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-methylphenyl)sulfanylcyclopentane-1-carboxamide is sourced from PubChem (CID 79653394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).