N-(2-hydroxy-2,4-dimethylpentyl)piperidine-1-sulfonamide

C12H26N2O3S — CID 66178998

IUPACN-(2-hydroxy-2,4-dimethylpentyl)piperidine-1-sulfonamide
SMILESCC(C)CC(C)(O)CNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H26N2O3S/c1-11(2)9-12(3,15)10-13-18(16,17)14-7-5-4-6-8-14/h11,13,15H,4-10H2,1-3H3
InChIKeyMKKIZSYRXXPTKK-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.10
Rot. Bonds6

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

N-(2-hydroxy-2,4-dimethylpentyl)piperidine-1-sulfonamide (PubChem CID 66178998) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)piperidine-1-sulfonamide
PubChem CID66178998
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)piperidine-1-sulfonamide
SMILESCC(C)CC(C)(O)CNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H26N2O3S/c1-11(2)9-12(3,15)10-13-18(16,17)14-7-5-4-6-8-14/h11,13,15H,4-10H2,1-3H3
InChIKeyMKKIZSYRXXPTKK-UHFFFAOYSA-N
XLogP1.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.10
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)piperidine-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)piperidine-1-sulfonamide (CID 66178998) is N-(2-hydroxy-2,4-dimethylpentyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)piperidine-1-sulfonamide is CC(C)CC(C)(O)CNS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)piperidine-1-sulfonamide?
The InChIKey is MKKIZSYRXXPTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-11(2)9-12(3,15)10-13-18(16,17)14-7-5-4-6-8-14/h11,13,15H,4-10H2,1-3H3.
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)piperidine-1-sulfonamide?
N-(2-hydroxy-2,4-dimethylpentyl)piperidine-1-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 1.10, 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)piperidine-1-sulfonamide is sourced from PubChem (CID 66178998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).