N-(1-hydroxy-4-methylpentan-2-yl)-4-methylpiperidine-1-sulfonamide

C12H26N2O3S — CID 61247377

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-4-methylpiperidine-1-sulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C12H26N2O3S/c1-10(2)8-12(9-15)13-18(16,17)14-6-4-11(3)5-7-14/h10-13,15H,4-9H2,1-3H3
InChIKeyUAEZISICYAXXMY-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.96
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-2-yl)-4-methylpiperidine-1-sulfonamide

N-(1-hydroxy-4-methylpentan-2-yl)-4-methylpiperidine-1-sulfonamide (PubChem CID 61247377) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-4-methylpiperidine-1-sulfonamide
PubChem CID61247377
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-4-methylpiperidine-1-sulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C12H26N2O3S/c1-10(2)8-12(9-15)13-18(16,17)14-6-4-11(3)5-7-14/h10-13,15H,4-9H2,1-3H3
InChIKeyUAEZISICYAXXMY-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-4-methylpiperidine-1-sulfonamide (CID 61247377) is N-(1-hydroxy-4-methylpentan-2-yl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-4-methylpiperidine-1-sulfonamide is CC(C)CC(CO)NS(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is UAEZISICYAXXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-10(2)8-12(9-15)13-18(16,17)14-6-4-11(3)5-7-14/h10-13,15H,4-9H2,1-3H3.
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-4-methylpiperidine-1-sulfonamide?
N-(1-hydroxy-4-methylpentan-2-yl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 61247377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).