1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide

C16H24N2OS — CID 115437472

IUPAC1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide
SMILESCCSc1ccccc1NC(=O)C1(CN)CCCCC1
InChIInChI=1S/C16H24N2OS/c1-2-20-14-9-5-4-8-13(14)18-15(19)16(12-17)10-6-3-7-11-16/h4-5,8-9H,2-3,6-7,10-12,17H2,1H3,(H,18,19)
InChIKeyXVTQPKOYASJCQG-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.65
Rot. Bonds5

About 1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide (PubChem CID 115437472) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide
PubChem CID115437472
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide
SMILESCCSc1ccccc1NC(=O)C1(CN)CCCCC1
InChIInChI=1S/C16H24N2OS/c1-2-20-14-9-5-4-8-13(14)18-15(19)16(12-17)10-6-3-7-11-16/h4-5,8-9H,2-3,6-7,10-12,17H2,1H3,(H,18,19)
InChIKeyXVTQPKOYASJCQG-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2-prop-2-enylsulfanylphenyl)cyclohexane-1-carboxamide
CID 115437461
1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide
CID 113309812
1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide
CID 115443739
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]benzamide
CID 115434729
1-(aminomethyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 80587108
S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] methanethioate
CID 142965894
N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980005
1-(aminomethyl)-N-(2,3-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670553
1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
CID 115443708
2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]benzoic acid
CID 115448247
1-(aminomethyl)-N-(3-iodo-2-methylphenyl)cyclopentane-1-carboxamide
CID 114257264
N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974526

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide (CID 115437472) is 1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide is CCSc1ccccc1NC(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide?
The InChIKey is XVTQPKOYASJCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-20-14-9-5-4-8-13(14)18-15(19)16(12-17)10-6-3-7-11-16/h4-5,8-9H,2-3,6-7,10-12,17H2,1H3,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115437472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).