N-(2-hydroxy-2-methylpentyl)azepane-1-sulfonamide

C12H26N2O3S — CID 103835328

IUPACN-(2-hydroxy-2-methylpentyl)azepane-1-sulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C12H26N2O3S/c1-3-8-12(2,15)11-13-18(16,17)14-9-6-4-5-7-10-14/h13,15H,3-11H2,1-2H3
InChIKeyDTZBPSJXVBPILZ-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.25
Rot. Bonds6

About N-(2-hydroxy-2-methylpentyl)azepane-1-sulfonamide

N-(2-hydroxy-2-methylpentyl)azepane-1-sulfonamide (PubChem CID 103835328) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)azepane-1-sulfonamide
PubChem CID103835328
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-(2-hydroxy-2-methylpentyl)azepane-1-sulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C12H26N2O3S/c1-3-8-12(2,15)11-13-18(16,17)14-9-6-4-5-7-10-14/h13,15H,3-11H2,1-2H3
InChIKeyDTZBPSJXVBPILZ-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
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-methylpentyl)azepane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)azepane-1-sulfonamide (CID 103835328) is N-(2-hydroxy-2-methylpentyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)azepane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)azepane-1-sulfonamide is CCCC(C)(O)CNS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)azepane-1-sulfonamide?
The InChIKey is DTZBPSJXVBPILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-3-8-12(2,15)11-13-18(16,17)14-9-6-4-5-7-10-14/h13,15H,3-11H2,1-2H3.
What are the key properties of N-(2-hydroxy-2-methylpentyl)azepane-1-sulfonamide?
N-(2-hydroxy-2-methylpentyl)azepane-1-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 1.25, 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-methylpentyl)azepane-1-sulfonamide is sourced from PubChem (CID 103835328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).