4-propylsulfonyl-1,4-oxazepane

C8H17NO3S — CID 62067172

IUPAC4-propylsulfonyl-1,4-oxazepane
SMILESCCCS(=O)(=O)N1CCCOCC1
InChIInChI=1S/C8H17NO3S/c1-2-8-13(10,11)9-4-3-6-12-7-5-9/h2-8H2,1H3
InChIKeyKTWGILMEGAADIU-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.45
Rot. Bonds3

About 4-propylsulfonyl-1,4-oxazepane

4-propylsulfonyl-1,4-oxazepane (PubChem CID 62067172) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-propylsulfonyl-1,4-oxazepane.

Molecular Properties

Compound Name4-propylsulfonyl-1,4-oxazepane
PubChem CID62067172
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name4-propylsulfonyl-1,4-oxazepane
SMILESCCCS(=O)(=O)N1CCCOCC1
InChIInChI=1S/C8H17NO3S/c1-2-8-13(10,11)9-4-3-6-12-7-5-9/h2-8H2,1H3
InChIKeyKTWGILMEGAADIU-UHFFFAOYSA-N
XLogP0.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-propylsulfonyl-1,4-oxazepane 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

1,4-bis(propylsulfonyl)-1,4-diazepane
CID 52744132
4-(2-methylsulfonylethylsulfonyl)morpholine
CID 64591555
1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667
N-methyl-2-morpholin-4-ylsulfonylethanamine
CID 59686763
propan-2-yl 3-morpholin-4-ylsulfonylpropanoate
CID 112724899
morpholin-4-yl-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55683506
4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]morpholine
CID 118333607
12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane
CID 171348273
morpholin-4-yl-[(3R)-1-(1-propylsulfonylpiperidin-4-yl)piperidin-3-yl]methanone
CID 96573725
4-(1,4-oxazepan-4-ylsulfonylmethyl)aniline
CID 62987423
2-methyl-N-(2-morpholin-4-ylsulfonylethyl)propan-1-amine
CID 115876287
4-propylsulfonylpiperazine-1-carbaldehyde
CID 60643312

Frequently Asked Questions

What is the IUPAC name of 4-propylsulfonyl-1,4-oxazepane?
The IUPAC name of 4-propylsulfonyl-1,4-oxazepane (CID 62067172) is 4-propylsulfonyl-1,4-oxazepane.
What is the SMILES notation for 4-propylsulfonyl-1,4-oxazepane?
The canonical SMILES for 4-propylsulfonyl-1,4-oxazepane is CCCS(=O)(=O)N1CCCOCC1.
What is the InChIKey of 4-propylsulfonyl-1,4-oxazepane?
The InChIKey is KTWGILMEGAADIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-8-13(10,11)9-4-3-6-12-7-5-9/h2-8H2,1H3.
What are the key properties of 4-propylsulfonyl-1,4-oxazepane?
4-propylsulfonyl-1,4-oxazepane has a molecular weight of 207.29 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylsulfonyl-1,4-oxazepane is sourced from PubChem (CID 62067172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).