N-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide

C14H26N2OS — CID 114123094

IUPACN-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide
SMILESCSC1CCC(NC(=O)C2CCCCCN2)CC1
InChIInChI=1S/C14H26N2OS/c1-18-12-8-6-11(7-9-12)16-14(17)13-5-3-2-4-10-15-13/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyLKYZUBMBSXQGHX-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.31
Rot. Bonds3

About N-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide

N-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide (PubChem CID 114123094) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide
PubChem CID114123094
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide
SMILESCSC1CCC(NC(=O)C2CCCCCN2)CC1
InChIInChI=1S/C14H26N2OS/c1-18-12-8-6-11(7-9-12)16-14(17)13-5-3-2-4-10-15-13/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyLKYZUBMBSXQGHX-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylsulfanylcyclohexyl)piperidine-2-carboxamide
CID 114123028
N-cyclopentylazepane-2-carboxamide
CID 64564743
N-(3-methylsulfanylcyclohexyl)piperidine-2-carboxamide
CID 103797395
N-(4-aminocyclohexyl)azepane-2-carboxamide
CID 64569941
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
(2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide
CID 103797414
N-(4-ethylcyclohexyl)piperidine-2-carboxamide;hydrochloride
CID 119285364
N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 18072889
(2S)-N-(thian-4-yl)piperidine-2-carboxamide
CID 103810217
(2R)-N-(thian-4-yl)piperidine-2-carboxamide
CID 103810216
(2R)-N-(3,5-dimethylcyclohexyl)piperidine-2-carboxamide
CID 103811701
N-[(1R,4S)-4-hydroxy-3-methylcyclohexyl]piperidine-2-carboxamide
CID 143950211

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide?
The IUPAC name of N-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide (CID 114123094) is N-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide.
What is the SMILES notation for N-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide?
The canonical SMILES for N-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide is CSC1CCC(NC(=O)C2CCCCCN2)CC1.
What is the InChIKey of N-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide?
The InChIKey is LKYZUBMBSXQGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-18-12-8-6-11(7-9-12)16-14(17)13-5-3-2-4-10-15-13/h11-13,15H,2-10H2,1H3,(H,16,17).
What are the key properties of N-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide?
N-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide has a molecular weight of 270.44 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide is sourced from PubChem (CID 114123094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).