3-cyclohexyl-1,4-thiazepane 1-oxide

C11H21NOS — CID 104754920

IUPAC3-cyclohexyl-1,4-thiazepane 1-oxide
SMILESO=S1CCCNC(C2CCCCC2)C1
InChIInChI=1S/C11H21NOS/c13-14-8-4-7-12-11(9-14)10-5-2-1-3-6-10/h10-12H,1-9H2
InChIKeyPWXAYSURWPPLBQ-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.68
Rot. Bonds1

About 3-cyclohexyl-1,4-thiazepane 1-oxide

3-cyclohexyl-1,4-thiazepane 1-oxide (PubChem CID 104754920) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 3-cyclohexyl-1,4-thiazepane 1-oxide.

Molecular Properties

Compound Name3-cyclohexyl-1,4-thiazepane 1-oxide
PubChem CID104754920
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name3-cyclohexyl-1,4-thiazepane 1-oxide
SMILESO=S1CCCNC(C2CCCCC2)C1
InChIInChI=1S/C11H21NOS/c13-14-8-4-7-12-11(9-14)10-5-2-1-3-6-10/h10-12H,1-9H2
InChIKeyPWXAYSURWPPLBQ-UHFFFAOYSA-N
XLogP1.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyl-1,4-thiazepane 1-oxide 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-cyclohexyl-5-methyl-1,4-thiazepane 1-oxide
CID 104754927
(2S)-2-cyclohexylpiperidine
CID 7016471
2-cyclodecylazecane
CID 126739440
2-cycloheptylpiperidine;hydrochloride
CID 115030388
2-cycloheptylpyrrolidine;hydrochloride
CID 115023231
2-cyclopentylpyrrolidine
CID 4031549
(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
CID 92720077
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
CID 142196659
2-(4-cyclohexylcyclohexyl)piperidine
CID 83404287
3-propan-2-yl-1,4-thiazepane 1-oxide
CID 79395387
2-cyclohexylaziridine
CID 14342017
CID 174042900
CID 174042900

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,4-thiazepane 1-oxide?
The IUPAC name of 3-cyclohexyl-1,4-thiazepane 1-oxide (CID 104754920) is 3-cyclohexyl-1,4-thiazepane 1-oxide.
What is the SMILES notation for 3-cyclohexyl-1,4-thiazepane 1-oxide?
The canonical SMILES for 3-cyclohexyl-1,4-thiazepane 1-oxide is O=S1CCCNC(C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-1,4-thiazepane 1-oxide?
The InChIKey is PWXAYSURWPPLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c13-14-8-4-7-12-11(9-14)10-5-2-1-3-6-10/h10-12H,1-9H2.
What are the key properties of 3-cyclohexyl-1,4-thiazepane 1-oxide?
3-cyclohexyl-1,4-thiazepane 1-oxide has a molecular weight of 215.36 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,4-thiazepane 1-oxide is sourced from PubChem (CID 104754920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).