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

C11H24N2O3S — CID 65113091

IUPACN-(2-hydroxy-2-methylbutyl)azepane-1-sulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H24N2O3S/c1-3-11(2,14)10-12-17(15,16)13-8-6-4-5-7-9-13/h12,14H,3-10H2,1-2H3
InChIKeyYQRBPNHVZAORST-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.86
Rot. Bonds5

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

N-(2-hydroxy-2-methylbutyl)azepane-1-sulfonamide (PubChem CID 65113091) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)azepane-1-sulfonamide
PubChem CID65113091
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-(2-hydroxy-2-methylbutyl)azepane-1-sulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H24N2O3S/c1-3-11(2,14)10-12-17(15,16)13-8-6-4-5-7-9-13/h12,14H,3-10H2,1-2H3
InChIKeyYQRBPNHVZAORST-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-2-methylbutyl)azepane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Amino-4-(azepan-1-yl)-2-methylbutan-2-ol
CID 64820966
N-[(1-hydroxycyclopentyl)methyl]azepane-1-sulfonamide
CID 65112793
N-(2-hydroxy-2-methylbutyl)piperidine-1-sulfonamide
CID 65112809
1-[[Butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methylbutane
CID 65112864
1-(Dipropylsulfamoylamino)-2-hydroxy-2-methylbutane
CID 65112865
3-[[[Butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxypentane
CID 65112874
N-(2-ethyl-2-hydroxybutyl)azepane-1-sulfonamide
CID 65113009
3-[(Dipropylsulfamoylamino)methyl]-3-hydroxypentane
CID 65113327
N-(2-hydroxy-2-methylpropyl)azepane-1-sulfonamide
CID 65113390
1-(Diethylsulfamoylamino)-2-hydroxy-2-methylbutane
CID 65113403
3-[(Diethylsulfamoylamino)methyl]-3-hydroxypentane
CID 65113460
1-(Azepan-1-ylsulfonyl)-3-ethylazetidin-3-ol
CID 65928546

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)azepane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)azepane-1-sulfonamide (CID 65113091) is N-(2-hydroxy-2-methylbutyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)azepane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)azepane-1-sulfonamide is CCC(C)(O)CNS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)azepane-1-sulfonamide?
The InChIKey is YQRBPNHVZAORST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-3-11(2,14)10-12-17(15,16)13-8-6-4-5-7-9-13/h12,14H,3-10H2,1-2H3.
What are the key properties of N-(2-hydroxy-2-methylbutyl)azepane-1-sulfonamide?
N-(2-hydroxy-2-methylbutyl)azepane-1-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)azepane-1-sulfonamide is sourced from PubChem (CID 65113091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).