1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol

C12H23NOS — CID 65208589

IUPAC1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol
SMILESOC1(CN2CCCSCC2)CCCCC1
InChIInChI=1S/C12H23NOS/c14-12(5-2-1-3-6-12)11-13-7-4-9-15-10-8-13/h14H,1-11H2
InChIKeyWNDPWYCZXDVUGH-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.12
Rot. Bonds2

About 1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol

1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol (PubChem CID 65208589) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol
PubChem CID65208589
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol
SMILESOC1(CN2CCCSCC2)CCCCC1
InChIInChI=1S/C12H23NOS/c14-12(5-2-1-3-6-12)11-13-7-4-9-15-10-8-13/h14H,1-11H2
InChIKeyWNDPWYCZXDVUGH-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Thiomorpholin-4-ylmethyl)cyclohexan-1-ol
CID 61518433
1-[[Methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol
CID 65208243
1-[(3-Methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
CID 65208261
1-[(2,6-Dimethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
CID 65208316
1-(1,4-Thiazepan-4-ylmethyl)cyclopentan-1-ol
CID 65212728
1-[(7,7-Dimethyl-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol
CID 107271978
1-[(7,7-Dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol
CID 107271986
4-Methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-ol
CID 112324591
1-[[Methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cyclohexan-1-ol
CID 112663292
1-[(2-Methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
CID 115616622
1-[(2-Ethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
CID 115666559
1-[(2,2-Dimethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
CID 115683961

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol (CID 65208589) is 1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol is OC1(CN2CCCSCC2)CCCCC1.
What is the InChIKey of 1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol?
The InChIKey is WNDPWYCZXDVUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c14-12(5-2-1-3-6-12)11-13-7-4-9-15-10-8-13/h14H,1-11H2.
What are the key properties of 1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol?
1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol has a molecular weight of 229.39 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 65208589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).