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

C11H21NOS — CID 65212728

IUPAC1-(1,4-thiazepan-4-ylmethyl)cyclopentan-1-ol
SMILESOC1(CN2CCCSCC2)CCCC1
InChIInChI=1S/C11H21NOS/c13-11(4-1-2-5-11)10-12-6-3-8-14-9-7-12/h13H,1-10H2
InChIKeyZTVAYVAMUPZGOI-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.73
Rot. Bonds2

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

1-(1,4-thiazepan-4-ylmethyl)cyclopentan-1-ol (PubChem CID 65212728) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 1-(1,4-thiazepan-4-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(1,4-thiazepan-4-ylmethyl)cyclopentan-1-ol
PubChem CID65212728
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name1-(1,4-thiazepan-4-ylmethyl)cyclopentan-1-ol
SMILESOC1(CN2CCCSCC2)CCCC1
InChIInChI=1S/C11H21NOS/c13-11(4-1-2-5-11)10-12-6-3-8-14-9-7-12/h13H,1-10H2
InChIKeyZTVAYVAMUPZGOI-UHFFFAOYSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-Thiazepan-4-ylmethyl)cyclohexan-1-ol
CID 65208589
1-[[Methyl(thiolan-3-yl)amino]methyl]cyclopentan-1-ol
CID 65212719
1-((3-Methylthiomorpholino)methyl)cyclopentan-1-ol
CID 65212845
1-[(2,6-Dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol
CID 65212894
1-(Thiomorpholin-4-ylmethyl)cyclopentan-1-ol
CID 65213206
1-[(1,1-Dioxo-1,4-thiazepan-4-yl)methyl]cyclopentan-1-ol
CID 103827241
3-[(7,7-Dimethyl-1,4-thiazepan-4-yl)methyl]pentan-3-ol
CID 107271920
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
1-(3-Ethylsulfanylpropyl)-4-methylazepan-4-ol
CID 107408058
1-[[Methyl-[2-(2-methylpropylsulfanyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 109868879
3-[(3-Methylsulfanylazepan-1-yl)methyl]pentan-3-ol
CID 109993057

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-thiazepan-4-ylmethyl)cyclopentan-1-ol?
The IUPAC name of 1-(1,4-thiazepan-4-ylmethyl)cyclopentan-1-ol (CID 65212728) is 1-(1,4-thiazepan-4-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(1,4-thiazepan-4-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for 1-(1,4-thiazepan-4-ylmethyl)cyclopentan-1-ol is OC1(CN2CCCSCC2)CCCC1.
What is the InChIKey of 1-(1,4-thiazepan-4-ylmethyl)cyclopentan-1-ol?
The InChIKey is ZTVAYVAMUPZGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c13-11(4-1-2-5-11)10-12-6-3-8-14-9-7-12/h13H,1-10H2.
What are the key properties of 1-(1,4-thiazepan-4-ylmethyl)cyclopentan-1-ol?
1-(1,4-thiazepan-4-ylmethyl)cyclopentan-1-ol has a molecular weight of 215.36 g/mol, XLogP of 1.73, 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)cyclopentan-1-ol is sourced from PubChem (CID 65212728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).