1-(2-propan-2-yloxyethylsulfonyl)azepane

C11H23NO3S — CID 79229911

IUPAC1-(2-propan-2-yloxyethylsulfonyl)azepane
SMILESCC(C)OCCS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H23NO3S/c1-11(2)15-9-10-16(13,14)12-7-5-3-4-6-8-12/h11H,3-10H2,1-2H3
InChIKeyDNCCNKUCNBCWDF-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.62
Rot. Bonds5

About 1-(2-propan-2-yloxyethylsulfonyl)azepane

1-(2-propan-2-yloxyethylsulfonyl)azepane (PubChem CID 79229911) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethylsulfonyl)azepane.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethylsulfonyl)azepane
PubChem CID79229911
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name1-(2-propan-2-yloxyethylsulfonyl)azepane
SMILESCC(C)OCCS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H23NO3S/c1-11(2)15-9-10-16(13,14)12-7-5-3-4-6-8-12/h11H,3-10H2,1-2H3
InChIKeyDNCCNKUCNBCWDF-UHFFFAOYSA-N
XLogP1.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-propan-2-yloxyethylsulfonyl)azepane 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-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79229270
4-(1-chloroethyl)-1-(2-propan-2-yloxyethylsulfonyl)piperidine
CID 106839507
[4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine
CID 107160245
3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine
CID 79594001
1-(3-methylbutylsulfonyl)piperidine
CID 58689013
(1-aminocyclohexyl)-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]methanone;hydrochloride
CID 119343297
N'-hydroxy-4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carboximidamide
CID 107162672
2-methyl-2-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propanenitrile
CID 79593694
2-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]ethanethioamide
CID 79594381
(2S)-2-amino-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119343269
N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
CID 79600882
2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-3-yl]acetic acid
CID 79594109

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethylsulfonyl)azepane?
The IUPAC name of 1-(2-propan-2-yloxyethylsulfonyl)azepane (CID 79229911) is 1-(2-propan-2-yloxyethylsulfonyl)azepane.
What is the SMILES notation for 1-(2-propan-2-yloxyethylsulfonyl)azepane?
The canonical SMILES for 1-(2-propan-2-yloxyethylsulfonyl)azepane is CC(C)OCCS(=O)(=O)N1CCCCCC1.
What is the InChIKey of 1-(2-propan-2-yloxyethylsulfonyl)azepane?
The InChIKey is DNCCNKUCNBCWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-11(2)15-9-10-16(13,14)12-7-5-3-4-6-8-12/h11H,3-10H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyethylsulfonyl)azepane?
1-(2-propan-2-yloxyethylsulfonyl)azepane has a molecular weight of 249.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethylsulfonyl)azepane is sourced from PubChem (CID 79229911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).