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

C13H24N2OS — CID 114123028

IUPACN-(4-methylsulfanylcyclohexyl)piperidine-2-carboxamide
SMILESCSC1CCC(NC(=O)C2CCCCN2)CC1
InChIInChI=1S/C13H24N2OS/c1-17-11-7-5-10(6-8-11)15-13(16)12-4-2-3-9-14-12/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyBAEDIEGNNBWAQU-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.92
Rot. Bonds3

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

N-(4-methylsulfanylcyclohexyl)piperidine-2-carboxamide (PubChem CID 114123028) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(4-methylsulfanylcyclohexyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanylcyclohexyl)piperidine-2-carboxamide
PubChem CID114123028
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(4-methylsulfanylcyclohexyl)piperidine-2-carboxamide
SMILESCSC1CCC(NC(=O)C2CCCCN2)CC1
InChIInChI=1S/C13H24N2OS/c1-17-11-7-5-10(6-8-11)15-13(16)12-4-2-3-9-14-12/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyBAEDIEGNNBWAQU-UHFFFAOYSA-N
XLogP1.92
TPSA41.13 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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylsulfanylcyclohexyl)azepane-2-carboxamide
CID 114123094
N-(3-methylsulfanylcyclohexyl)piperidine-2-carboxamide
CID 103797395
N-cyclopentylazepane-2-carboxamide
CID 64564743
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
(2S)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide
CID 103797414
N-(4-aminocyclohexyl)azepane-2-carboxamide
CID 64569941
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)piperidine-2-carboxamide?
The IUPAC name of N-(4-methylsulfanylcyclohexyl)piperidine-2-carboxamide (CID 114123028) is N-(4-methylsulfanylcyclohexyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(4-methylsulfanylcyclohexyl)piperidine-2-carboxamide?
The canonical SMILES for N-(4-methylsulfanylcyclohexyl)piperidine-2-carboxamide is CSC1CCC(NC(=O)C2CCCCN2)CC1.
What is the InChIKey of N-(4-methylsulfanylcyclohexyl)piperidine-2-carboxamide?
The InChIKey is BAEDIEGNNBWAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-17-11-7-5-10(6-8-11)15-13(16)12-4-2-3-9-14-12/h10-12,14H,2-9H2,1H3,(H,15,16).
What are the key properties of N-(4-methylsulfanylcyclohexyl)piperidine-2-carboxamide?
N-(4-methylsulfanylcyclohexyl)piperidine-2-carboxamide has a molecular weight of 256.41 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylcyclohexyl)piperidine-2-carboxamide is sourced from PubChem (CID 114123028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).