(3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide

C12H24N2O3S — CID 97108959

IUPAC(3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide
SMILESC[C@H]1CCCN(C(=O)N[C@@H](C)CCS(C)(=O)=O)C1
InChIInChI=1S/C12H24N2O3S/c1-10-5-4-7-14(9-10)12(15)13-11(2)6-8-18(3,16)17/h10-11H,4-9H2,1-3H3,(H,13,15)/t10-,11-/m0/s1
InChIKeyGXHLLPYZAFRYPL-QWRGUYRKSA-N
MW276.40 g/mol
LogP1.25
Rot. Bonds4

About (3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide

(3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide (PubChem CID 97108959) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is (3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide
PubChem CID97108959
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name(3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide
SMILESC[C@H]1CCCN(C(=O)N[C@@H](C)CCS(C)(=O)=O)C1
InChIInChI=1S/C12H24N2O3S/c1-10-5-4-7-14(9-10)12(15)13-11(2)6-8-18(3,16)17/h10-11H,4-9H2,1-3H3,(H,13,15)/t10-,11-/m0/s1
InChIKeyGXHLLPYZAFRYPL-QWRGUYRKSA-N
XLogP1.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylpiperidine-1-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61186527
3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115760637
N-hexan-2-yl-3-methylpiperidine-1-carboxamide
CID 116655502
3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide
CID 113234945
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 116657977
N-[(2R)-4-methylsulfonylbutan-2-yl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 124619633
N-[5-(diethylamino)pentan-2-yl]-3-methylpiperidine-1-carboxamide
CID 116653952
N-(1-methylsulfonylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115626187
3-[1-(1-methylsulfonylpropan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 64643622
3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583842
N-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide
CID 79159247

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide (CID 97108959) is (3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide is C[C@H]1CCCN(C(=O)N[C@@H](C)CCS(C)(=O)=O)C1.
What is the InChIKey of (3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide?
The InChIKey is GXHLLPYZAFRYPL-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-10-5-4-7-14(9-10)12(15)13-11(2)6-8-18(3,16)17/h10-11H,4-9H2,1-3H3,(H,13,15)/t10-,11-/m0/s1.
What are the key properties of (3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide?
(3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-[(2S)-4-methylsulfonylbutan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 97108959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).