(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide

C10H22N2O2S — CID 95277876

IUPAC(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C10H22N2O2S/c1-4-9(2)11-15(13,14)12-8-6-5-7-10(12)3/h9-11H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyQNVLCBYXTGKHKO-ZJUUUORDSA-N
MW234.36 g/mol
LogP1.49
Rot. Bonds4

About (2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide

(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide (PubChem CID 95277876) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is (2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
PubChem CID95277876
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C10H22N2O2S/c1-4-9(2)11-15(13,14)12-8-6-5-7-10(12)3/h9-11H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyQNVLCBYXTGKHKO-ZJUUUORDSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxypentan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 113376619
N-hex-5-yn-3-yl-2-methylpiperidine-1-sulfonamide
CID 115650577
N-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 65030729
N-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 114208118
3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid
CID 122067923
(2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide
CID 124727544
3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 81078480
4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid
CID 43210817
N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 79547905
2-methyl-1-propan-2-ylsulfonylpiperidine
CID 59266035
(2S)-N-cyclooctyl-2-methylpiperidine-1-sulfonamide
CID 35294415
N-cyclohexyl-2-methylpiperidine-1-sulfonamide
CID 47164661

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide?
The IUPAC name of (2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide (CID 95277876) is (2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for (2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for (2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide is CC[C@@H](C)NS(=O)(=O)N1CCCC[C@@H]1C.
What is the InChIKey of (2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide?
The InChIKey is QNVLCBYXTGKHKO-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-4-9(2)11-15(13,14)12-8-6-5-7-10(12)3/h9-11H,4-8H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide?
(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 95277876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).