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

C13H24N2OS — CID 103812491

IUPAC3-amino-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide
SMILESCSC1CCC(NC(=O)C2CCCC(N)C2)C1
InChIInChI=1S/C13H24N2OS/c1-17-12-6-5-11(8-12)15-13(16)9-3-2-4-10(14)7-9/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyAZZPLPFBOYVNJJ-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.90
Rot. Bonds3

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

3-amino-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide (PubChem CID 103812491) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 3-amino-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide
PubChem CID103812491
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name3-amino-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide
SMILESCSC1CCC(NC(=O)C2CCCC(N)C2)C1
InChIInChI=1S/C13H24N2OS/c1-17-12-6-5-11(8-12)15-13(16)9-3-2-4-10(14)7-9/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyAZZPLPFBOYVNJJ-UHFFFAOYSA-N
XLogP1.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-methylsulfanylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119794937
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide
CID 63043224
N-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-oxocyclobutane-1-carboxamide
CID 97251565
3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62775601
3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119892062
cis-(1S,2R)-2-[(3-methylsulfanylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114122622
methyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate
CID 169045886
2-[(3-methylsulfanylcyclopentyl)amino]-2-oxoacetic acid
CID 104768128
3-methylsulfanylcyclohexan-1-amine
CID 54594178
3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119758195
3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119716211

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide (CID 103812491) is 3-amino-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide is CSC1CCC(NC(=O)C2CCCC(N)C2)C1.
What is the InChIKey of 3-amino-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide?
The InChIKey is AZZPLPFBOYVNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-17-12-6-5-11(8-12)15-13(16)9-3-2-4-10(14)7-9/h9-12H,2-8,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide?
3-amino-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide has a molecular weight of 256.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103812491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).