N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide

C12H24N2O3S — CID 3261210

IUPACN-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H24N2O3S/c1-10(2)6-7-13-12(15)11-5-4-8-14(9-11)18(3,16)17/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyJJJBNJRVJOUMLY-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.82
Rot. Bonds5

About N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide

N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 3261210) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID3261210
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H24N2O3S/c1-10(2)6-7-13-12(15)11-5-4-8-14(9-11)18(3,16)17/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyJJJBNJRVJOUMLY-UHFFFAOYSA-N
XLogP0.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 83031962
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
N-(2-methylpropoxy)-1-methylsulfonylpiperidine-3-carboxamide
CID 115410119
2-methyl-3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
CID 55105113
methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
CID 60729585
(3S)-N-(3-methylbutyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1081589
5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
CID 62032860
(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7030670
(3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 124759709
N-(2-cyclopropyl-2-hydroxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 55171583
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 4066550
N-(2-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide
CID 63857526

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 3261210) is N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide is CC(C)CCNC(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is JJJBNJRVJOUMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-10(2)6-7-13-12(15)11-5-4-8-14(9-11)18(3,16)17/h10-11H,4-9H2,1-3H3,(H,13,15).
What are the key properties of N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3261210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).