N-(1-hydroxybutan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide

C11H24N2O3S — CID 43501592

IUPACN-(1-hydroxybutan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide
SMILESCCC(CO)NS(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C11H24N2O3S/c1-4-11(8-14)12-17(15,16)13-6-9(2)5-10(3)7-13/h9-12,14H,4-8H2,1-3H3
InChIKeyGKUMJBLQZIGQLE-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.57
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide

N-(1-hydroxybutan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 43501592) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID43501592
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-(1-hydroxybutan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide
SMILESCCC(CO)NS(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C11H24N2O3S/c1-4-11(8-14)12-17(15,16)13-6-9(2)5-10(3)7-13/h9-12,14H,4-8H2,1-3H3
InChIKeyGKUMJBLQZIGQLE-UHFFFAOYSA-N
XLogP0.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide (CID 43501592) is N-(1-hydroxybutan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide is CCC(CO)NS(=O)(=O)N1CC(C)CC(C)C1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is GKUMJBLQZIGQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-4-11(8-14)12-17(15,16)13-6-9(2)5-10(3)7-13/h9-12,14H,4-8H2,1-3H3.
What are the key properties of N-(1-hydroxybutan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide?
N-(1-hydroxybutan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 43501592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).