(2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide

C11H22N2OS — CID 103812003

IUPAC(2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide
SMILESCSCCCCNC(=O)[C@H]1CCCCN1
InChIInChI=1S/C11H22N2OS/c1-15-9-5-4-8-13-11(14)10-6-2-3-7-12-10/h10,12H,2-9H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyXBWDXJYISNFYHD-SNVBAGLBSA-N
MW230.38 g/mol
LogP1.39
Rot. Bonds6

About (2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide

(2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide (PubChem CID 103812003) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is (2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide
PubChem CID103812003
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name(2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide
SMILESCSCCCCNC(=O)[C@H]1CCCCN1
InChIInChI=1S/C11H22N2OS/c1-15-9-5-4-8-13-11(14)10-6-2-3-7-12-10/h10,12H,2-9H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyXBWDXJYISNFYHD-SNVBAGLBSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxybutyl)azepane-2-carboxamide
CID 106842137
(2S)-N-(5-methoxypentyl)piperidine-2-carboxamide
CID 103809997
(2R)-N-(7-methyloctyl)piperidine-2-carboxamide
CID 103807890
methyl 2-[2-(piperidine-2-carbonylamino)ethylsulfanyl]acetate
CID 119320148
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
methyl 4-(azepane-2-carbonylamino)butanoate
CID 64562876
N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]butyl]piperidine-2-carboxamide
CID 18340166
(2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide
CID 103810225
N-(3-ethoxypropyl)azepane-2-carboxamide
CID 64562798
N-(3-ethoxypropyl)azocane-2-carboxamide
CID 114240040
N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide
CID 81434241
(2S)-N-[2-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]ethyldisulfanyl]ethyl]pyrrolidine-2-carboxamide
CID 11725207

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide (CID 103812003) is (2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide is CSCCCCNC(=O)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide?
The InChIKey is XBWDXJYISNFYHD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-15-9-5-4-8-13-11(14)10-6-2-3-7-12-10/h10,12H,2-9H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide?
(2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide is sourced from PubChem (CID 103812003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).