1-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide

C14H26N2OS — CID 114123111

IUPAC1-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide
SMILESCSC1CCC(NC(=O)C2(CN)CCCCC2)C1
InChIInChI=1S/C14H26N2OS/c1-18-12-6-5-11(9-12)16-13(17)14(10-15)7-3-2-4-8-14/h11-12H,2-10,15H2,1H3,(H,16,17)
InChIKeyCZCROIZPQUMAEN-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.30
Rot. Bonds4

About 1-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide (PubChem CID 114123111) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide
PubChem CID114123111
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide
SMILESCSC1CCC(NC(=O)C2(CN)CCCCC2)C1
InChIInChI=1S/C14H26N2OS/c1-18-12-6-5-11(9-12)16-13(17)14(10-15)7-3-2-4-8-14/h11-12H,2-10,15H2,1H3,(H,16,17)
InChIKeyCZCROIZPQUMAEN-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(3-methylcyclopentyl)cyclobutane-1-carboxamide
CID 114545052
1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide
CID 115443799
1-carbamothioyl-N-(3-methylsulfanylcyclopentyl)cyclopentane-1-carboxamide
CID 114123290
1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide
CID 64732102
1-amino-N-(3-methylsulfanylcyclohexyl)cyclopentane-1-carboxamide
CID 103797407
1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide
CID 115437435
3-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-3-carboxamide
CID 103822117
1-(aminomethyl)-N-[3-(cyclopropylamino)-3-oxopropyl]cycloheptane-1-carboxamide
CID 79394609
1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119831826
1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide
CID 63996093
1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748
1-(aminomethyl)-N-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxamide
CID 71234398

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide (CID 114123111) is 1-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide is CSC1CCC(NC(=O)C2(CN)CCCCC2)C1.
What is the InChIKey of 1-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide?
The InChIKey is CZCROIZPQUMAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-18-12-6-5-11(9-12)16-13(17)14(10-15)7-3-2-4-8-14/h11-12H,2-10,15H2,1H3,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide has a molecular weight of 270.44 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114123111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).