N-(2-hydroxy-2,4-dimethylpentyl)-3-methylpiperidine-1-sulfonamide

C13H28N2O3S — CID 66178212

IUPACN-(2-hydroxy-2,4-dimethylpentyl)-3-methylpiperidine-1-sulfonamide
SMILESCC(C)CC(C)(O)CNS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C13H28N2O3S/c1-11(2)8-13(4,16)10-14-19(17,18)15-7-5-6-12(3)9-15/h11-12,14,16H,5-10H2,1-4H3
InChIKeyGMEVCVFQPPLCMQ-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.35
Rot. Bonds6

About N-(2-hydroxy-2,4-dimethylpentyl)-3-methylpiperidine-1-sulfonamide

N-(2-hydroxy-2,4-dimethylpentyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 66178212) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)-3-methylpiperidine-1-sulfonamide
PubChem CID66178212
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)-3-methylpiperidine-1-sulfonamide
SMILESCC(C)CC(C)(O)CNS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C13H28N2O3S/c1-11(2)8-13(4,16)10-14-19(17,18)15-7-5-6-12(3)9-15/h11-12,14,16H,5-10H2,1-4H3
InChIKeyGMEVCVFQPPLCMQ-UHFFFAOYSA-N
XLogP1.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-3-methylpiperidine-1-sulfonamide (CID 66178212) is N-(2-hydroxy-2,4-dimethylpentyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)-3-methylpiperidine-1-sulfonamide is CC(C)CC(C)(O)CNS(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is GMEVCVFQPPLCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-11(2)8-13(4,16)10-14-19(17,18)15-7-5-6-12(3)9-15/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)-3-methylpiperidine-1-sulfonamide?
N-(2-hydroxy-2,4-dimethylpentyl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 66178212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).