(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide

C10H22N2O2S — CID 95141775

IUPAC(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
SMILESCC(C)CNS(=O)(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C10H22N2O2S/c1-9(2)7-11-15(13,14)12-6-4-5-10(3)8-12/h9-11H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyCVRSEMRCZNPUAX-JTQLQIEISA-N
MW234.36 g/mol
LogP1.21
Rot. Bonds4

About (3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide

(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide (PubChem CID 95141775) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is (3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
PubChem CID95141775
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
SMILESCC(C)CNS(=O)(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C10H22N2O2S/c1-9(2)7-11-15(13,14)12-6-4-5-10(3)8-12/h9-11H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyCVRSEMRCZNPUAX-JTQLQIEISA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide
CID 43606393
N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide
CID 65036779
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120664457
2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 62665582
methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate
CID 71847849
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide
CID 94061348
2-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 65221881
N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide
CID 103836469
3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 81066565
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
(3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide
CID 39992415

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide?
The IUPAC name of (3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide (CID 95141775) is (3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide.
What is the SMILES notation for (3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide?
The canonical SMILES for (3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide is CC(C)CNS(=O)(=O)N1CCC[C@H](C)C1.
What is the InChIKey of (3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide?
The InChIKey is CVRSEMRCZNPUAX-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9(2)7-11-15(13,14)12-6-4-5-10(3)8-12/h9-11H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide?
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide is sourced from PubChem (CID 95141775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).