[2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol

C13H25NOS — CID 106359743

IUPAC[2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol
SMILESCC1SCCCC1NC1CCCCC1CO
InChIInChI=1S/C13H25NOS/c1-10-12(7-4-8-16-10)14-13-6-3-2-5-11(13)9-15/h10-15H,2-9H2,1H3
InChIKeyXNLNOQMXLZIOCK-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.41
Rot. Bonds3

About [2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol

[2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol (PubChem CID 106359743) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is [2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol
PubChem CID106359743
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name[2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol
SMILESCC1SCCCC1NC1CCCCC1CO
InChIInChI=1S/C13H25NOS/c1-10-12(7-4-8-16-10)14-13-6-3-2-5-11(13)9-15/h10-15H,2-9H2,1H3
InChIKeyXNLNOQMXLZIOCK-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylcyclohexyl)-2-methylthiolan-3-amine
CID 102671503
2-methyl-N-(2-methylcyclohexyl)thian-3-amine
CID 79956809
2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol
CID 106361174
2-[[2-(hydroxymethyl)cyclohexyl]amino]cycloheptan-1-ol
CID 106361103
[2-[(3-methylcyclobutyl)amino]cyclohexyl]methanol
CID 104859822
[2-[[2-(aminomethyl)cyclopentyl]amino]cyclohexyl]methanol
CID 106359831
2-[[(2-methylthian-3-yl)amino]methyl]cyclohexan-1-ol
CID 79957776
N-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine
CID 79957712
N-(2,3-dimethylcyclobutyl)-2-methylthian-3-amine
CID 130948671
[2-(thiolan-3-ylamino)cyclohexyl]methanol
CID 103784945
2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 79957475
[2-[(2,5-dimethylcyclohexyl)amino]cyclopentyl]methanol
CID 106359519

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol (CID 106359743) is [2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol is CC1SCCCC1NC1CCCCC1CO.
What is the InChIKey of [2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol?
The InChIKey is XNLNOQMXLZIOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-10-12(7-4-8-16-10)14-13-6-3-2-5-11(13)9-15/h10-15H,2-9H2,1H3.
What are the key properties of [2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol?
[2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol has a molecular weight of 243.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 106359743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).