(2R)-N-(3-methylsulfinylbutyl)piperidine-2-carboxamide

C11H22N2O2S — CID 103813133

IUPAC(2R)-N-(3-methylsulfinylbutyl)piperidine-2-carboxamide
SMILESCC(CCNC(=O)[C@H]1CCCCN1)S(C)=O
InChIInChI=1S/C11H22N2O2S/c1-9(16(2)15)6-8-13-11(14)10-5-3-4-7-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9?,10-,16?/m1/s1
InChIKeyUJQTYOFDUPAJMI-IAZHFHGHSA-N
MW246.38 g/mol
LogP0.40
Rot. Bonds5

About (2R)-N-(3-methylsulfinylbutyl)piperidine-2-carboxamide

(2R)-N-(3-methylsulfinylbutyl)piperidine-2-carboxamide (PubChem CID 103813133) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is (2R)-N-(3-methylsulfinylbutyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-methylsulfinylbutyl)piperidine-2-carboxamide
PubChem CID103813133
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name(2R)-N-(3-methylsulfinylbutyl)piperidine-2-carboxamide
SMILESCC(CCNC(=O)[C@H]1CCCCN1)S(C)=O
InChIInChI=1S/C11H22N2O2S/c1-9(16(2)15)6-8-13-11(14)10-5-3-4-7-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9?,10-,16?/m1/s1
InChIKeyUJQTYOFDUPAJMI-IAZHFHGHSA-N
XLogP0.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-hydroxybutyl)piperidine-2-carboxamide
CID 103808747
(2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide
CID 103810225
(2S)-N-(3-hydroxypentyl)piperidine-2-carboxamide
CID 103810229
N-[2-(2-methylpropanoylamino)ethyl]azepane-2-carboxamide
CID 64564235
(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide
CID 61249248
(2R)-N-(7-methyloctyl)piperidine-2-carboxamide
CID 103807890
N-(3-ethoxy-4-methylpentyl)piperidine-2-carboxamide;hydrochloride
CID 119343233
(2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide
CID 103796220
N-(3-methylsulfinylbutyl)-2-pyrrolidin-2-ylacetamide
CID 115740896
N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-2-carboxamide
CID 62641689
4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid
CID 104914026
3-(piperidine-2-carbonylamino)propanoic acid
CID 61157644

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methylsulfinylbutyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-methylsulfinylbutyl)piperidine-2-carboxamide (CID 103813133) is (2R)-N-(3-methylsulfinylbutyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-methylsulfinylbutyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-methylsulfinylbutyl)piperidine-2-carboxamide is CC(CCNC(=O)[C@H]1CCCCN1)S(C)=O.
What is the InChIKey of (2R)-N-(3-methylsulfinylbutyl)piperidine-2-carboxamide?
The InChIKey is UJQTYOFDUPAJMI-IAZHFHGHSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-9(16(2)15)6-8-13-11(14)10-5-3-4-7-12-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9?,10-,16?/m1/s1.
What are the key properties of (2R)-N-(3-methylsulfinylbutyl)piperidine-2-carboxamide?
(2R)-N-(3-methylsulfinylbutyl)piperidine-2-carboxamide has a molecular weight of 246.38 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methylsulfinylbutyl)piperidine-2-carboxamide is sourced from PubChem (CID 103813133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).