[1-(1,4-thiazepan-4-ylmethyl)cyclohexyl]methanol

C13H25NOS — CID 62266890

IUPAC[1-(1,4-thiazepan-4-ylmethyl)cyclohexyl]methanol
SMILESOCC1(CN2CCCSCC2)CCCCC1
InChIInChI=1S/C13H25NOS/c15-12-13(5-2-1-3-6-13)11-14-7-4-9-16-10-8-14/h15H,1-12H2
InChIKeyVPIXUCUJLGXHAT-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.37
Rot. Bonds3

About [1-(1,4-thiazepan-4-ylmethyl)cyclohexyl]methanol

[1-(1,4-thiazepan-4-ylmethyl)cyclohexyl]methanol (PubChem CID 62266890) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is [1-(1,4-thiazepan-4-ylmethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(1,4-thiazepan-4-ylmethyl)cyclohexyl]methanol
PubChem CID62266890
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name[1-(1,4-thiazepan-4-ylmethyl)cyclohexyl]methanol
SMILESOCC1(CN2CCCSCC2)CCCCC1
InChIInChI=1S/C13H25NOS/c15-12-13(5-2-1-3-6-13)11-14-7-4-9-16-10-8-14/h15H,1-12H2
InChIKeyVPIXUCUJLGXHAT-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1,4-thiazepan-4-ylmethyl)cyclohexyl]methanol?
The IUPAC name of [1-(1,4-thiazepan-4-ylmethyl)cyclohexyl]methanol (CID 62266890) is [1-(1,4-thiazepan-4-ylmethyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(1,4-thiazepan-4-ylmethyl)cyclohexyl]methanol?
The canonical SMILES for [1-(1,4-thiazepan-4-ylmethyl)cyclohexyl]methanol is OCC1(CN2CCCSCC2)CCCCC1.
What is the InChIKey of [1-(1,4-thiazepan-4-ylmethyl)cyclohexyl]methanol?
The InChIKey is VPIXUCUJLGXHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c15-12-13(5-2-1-3-6-13)11-14-7-4-9-16-10-8-14/h15H,1-12H2.
What are the key properties of [1-(1,4-thiazepan-4-ylmethyl)cyclohexyl]methanol?
[1-(1,4-thiazepan-4-ylmethyl)cyclohexyl]methanol has a molecular weight of 243.42 g/mol, XLogP of 2.37, 3 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)cyclohexyl]methanol is sourced from PubChem (CID 62266890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).