3-propan-2-ylsulfonylazepane

C9H19NO2S — CID 102921107

IUPAC3-propan-2-ylsulfonylazepane
SMILESCC(C)S(=O)(=O)C1CCCCNC1
InChIInChI=1S/C9H19NO2S/c1-8(2)13(11,12)9-5-3-4-6-10-7-9/h8-10H,3-7H2,1-2H3
InChIKeyBGCHPMYIBOYFGT-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.95
Rot. Bonds2

About 3-propan-2-ylsulfonylazepane

3-propan-2-ylsulfonylazepane (PubChem CID 102921107) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-propan-2-ylsulfonylazepane.

Molecular Properties

Compound Name3-propan-2-ylsulfonylazepane
PubChem CID102921107
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-propan-2-ylsulfonylazepane
SMILESCC(C)S(=O)(=O)C1CCCCNC1
InChIInChI=1S/C9H19NO2S/c1-8(2)13(11,12)9-5-3-4-6-10-7-9/h8-10H,3-7H2,1-2H3
InChIKeyBGCHPMYIBOYFGT-UHFFFAOYSA-N
XLogP0.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-propan-2-ylsulfonylazepane 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

3-butan-2-ylsulfonylazepane
CID 106512763
4-propan-2-ylsulfonylazepane
CID 115070337
2-methylpropane;piperidine-3-sulfonamide
CID 162108453
(3S)-3-methylsulfonylpiperidine;hydrochloride
CID 122170301
3-cyclobutylsulfonylpiperidine
CID 115070306
N-(3-methylbutyl)piperidine-3-sulfonamide
CID 24702359
2-propan-2-ylsulfonylpiperazine
CID 173179926
N-cyclopropyl-N-(2-methylpropyl)piperidine-3-sulfonamide
CID 55001459
N-(2-methoxypropyl)piperidine-3-sulfonamide
CID 102699245
N-(cyclopentylmethyl)-N-methylpiperidine-3-sulfonamide
CID 63656754
N-[1-(furan-2-yl)ethyl]piperidine-3-sulfonamide
CID 54972326
(1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane
CID 97301302

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylsulfonylazepane?
The IUPAC name of 3-propan-2-ylsulfonylazepane (CID 102921107) is 3-propan-2-ylsulfonylazepane.
What is the SMILES notation for 3-propan-2-ylsulfonylazepane?
The canonical SMILES for 3-propan-2-ylsulfonylazepane is CC(C)S(=O)(=O)C1CCCCNC1.
What is the InChIKey of 3-propan-2-ylsulfonylazepane?
The InChIKey is BGCHPMYIBOYFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2)13(11,12)9-5-3-4-6-10-7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-propan-2-ylsulfonylazepane?
3-propan-2-ylsulfonylazepane has a molecular weight of 205.32 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylsulfonylazepane is sourced from PubChem (CID 102921107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).