1-(4-butan-2-ylphenyl)sulfonylazepane

C16H25NO2S — CID 19682627

IUPAC1-(4-butan-2-ylphenyl)sulfonylazepane
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C16H25NO2S/c1-3-14(2)15-8-10-16(11-9-15)20(18,19)17-12-6-4-5-7-13-17/h8-11,14H,3-7,12-13H2,1-2H3
InChIKeyTYKORHKAMADBLA-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.76
Rot. Bonds4

About 1-(4-butan-2-ylphenyl)sulfonylazepane

1-(4-butan-2-ylphenyl)sulfonylazepane (PubChem CID 19682627) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)sulfonylazepane.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)sulfonylazepane
PubChem CID19682627
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name1-(4-butan-2-ylphenyl)sulfonylazepane
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C16H25NO2S/c1-3-14(2)15-8-10-16(11-9-15)20(18,19)17-12-6-4-5-7-13-17/h8-11,14H,3-7,12-13H2,1-2H3
InChIKeyTYKORHKAMADBLA-UHFFFAOYSA-N
XLogP3.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-butan-2-ylphenyl)sulfonylazepane 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

N-[4-(azepan-1-ylsulfonyl)phenyl]-4-butan-2-ylbenzenesulfonamide
CID 19684570
N-[4-[(2R)-butan-2-yl]phenyl]-4-piperidin-1-ylsulfonylbenzamide
CID 7935734
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 7944162
[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963645
1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-butylsulfonylpiperazine
CID 27522527
(2R)-2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]propanenitrile
CID 9288969
1-(4-butan-2-ylphenyl)sulfonyl-4-(2-methoxyethyl)piperazine
CID 71189179
1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide
CID 86870457
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 55556370
1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol
CID 62917135
N-[[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990196
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 19684566

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)sulfonylazepane?
The IUPAC name of 1-(4-butan-2-ylphenyl)sulfonylazepane (CID 19682627) is 1-(4-butan-2-ylphenyl)sulfonylazepane.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)sulfonylazepane?
The canonical SMILES for 1-(4-butan-2-ylphenyl)sulfonylazepane is CCC(C)c1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)sulfonylazepane?
The InChIKey is TYKORHKAMADBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-3-14(2)15-8-10-16(11-9-15)20(18,19)17-12-6-4-5-7-13-17/h8-11,14H,3-7,12-13H2,1-2H3.
What are the key properties of 1-(4-butan-2-ylphenyl)sulfonylazepane?
1-(4-butan-2-ylphenyl)sulfonylazepane has a molecular weight of 295.45 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)sulfonylazepane is sourced from PubChem (CID 19682627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).