(2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide

C11H22N2OS — CID 103810225

IUPAC(2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide
SMILESCSC(C)CCNC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C11H22N2OS/c1-9(15-2)6-8-13-11(14)10-5-3-4-7-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyCBBAFCIVISKLBB-AXDSSHIGSA-N
MW230.38 g/mol
LogP1.39
Rot. Bonds5

About (2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide

(2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide (PubChem CID 103810225) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is (2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide
PubChem CID103810225
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name(2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide
SMILESCSC(C)CCNC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C11H22N2OS/c1-9(15-2)6-8-13-11(14)10-5-3-4-7-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyCBBAFCIVISKLBB-AXDSSHIGSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

(2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide
CID 103796220
(2R)-N-(3-hydroxybutyl)piperidine-2-carboxamide
CID 103808747
N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115976802
(2S)-N-(3-hydroxypentyl)piperidine-2-carboxamide
CID 103810229
N-[2-(2-methylpropanoylamino)ethyl]azepane-2-carboxamide
CID 64564235
(2R)-N-(3-methylsulfinylbutyl)piperidine-2-carboxamide
CID 103813133
N-(3-ethoxy-4-methylpentyl)piperidine-2-carboxamide;hydrochloride
CID 119343233
(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide
CID 61249248
(2R)-N-(7-methyloctyl)piperidine-2-carboxamide
CID 103807890
(2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide
CID 103812003
N-(3-methylsulfanylbutyl)piperidine-4-carboxamide
CID 115734040
N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-2-carboxamide
CID 62641689

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide (CID 103810225) is (2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide is CSC(C)CCNC(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide?
The InChIKey is CBBAFCIVISKLBB-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-9(15-2)6-8-13-11(14)10-5-3-4-7-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9?,10-/m0/s1.
What are the key properties of (2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide?
(2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide is sourced from PubChem (CID 103810225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).