2-[[(2-methylthian-3-yl)amino]methyl]cyclohexan-1-ol

C13H25NOS — CID 79957776

IUPAC2-[[(2-methylthian-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1SCCCC1NCC1CCCCC1O
InChIInChI=1S/C13H25NOS/c1-10-12(6-4-8-16-10)14-9-11-5-2-3-7-13(11)15/h10-15H,2-9H2,1H3
InChIKeyKDHDVKNVZBINAE-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.41
Rot. Bonds3

About 2-[[(2-methylthian-3-yl)amino]methyl]cyclohexan-1-ol

2-[[(2-methylthian-3-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 79957776) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 2-[[(2-methylthian-3-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(2-methylthian-3-yl)amino]methyl]cyclohexan-1-ol
PubChem CID79957776
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name2-[[(2-methylthian-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1SCCCC1NCC1CCCCC1O
InChIInChI=1S/C13H25NOS/c1-10-12(6-4-8-16-10)14-9-11-5-2-3-7-13(11)15/h10-15H,2-9H2,1H3
InChIKeyKDHDVKNVZBINAE-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

trans-(1R,2R)-2-[(2-methylcyclopentyl)methylamino]cyclopentan-1-ol
CID 107417907
2-[(2-methylcyclopentyl)methylamino]cyclopentan-1-ol
CID 107418182
2-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 64929467
trans-(1R,2R)-2-[(2-methylcyclopropyl)methylamino]cyclopentan-1-ol
CID 102734052
2-methyl-N-[(2-methylcyclopropyl)methyl]thiolan-3-amine
CID 102671571
trans-(1R,2R)-2-(thian-2-ylmethylamino)cyclopentan-1-ol
CID 102733755
[2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol
CID 106359743
2-methyl-N-(oxan-2-ylmethyl)thian-3-amine
CID 79956591
2-methyl-N-[(1-methylpiperidin-2-yl)methyl]thian-3-amine
CID 79957320
2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine
CID 102672978
2-[(cycloheptylamino)methyl]cyclohexan-1-ol
CID 64928206
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methylthian-3-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(2-methylthian-3-yl)amino]methyl]cyclohexan-1-ol (CID 79957776) is 2-[[(2-methylthian-3-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(2-methylthian-3-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(2-methylthian-3-yl)amino]methyl]cyclohexan-1-ol is CC1SCCCC1NCC1CCCCC1O.
What is the InChIKey of 2-[[(2-methylthian-3-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is KDHDVKNVZBINAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-10-12(6-4-8-16-10)14-9-11-5-2-3-7-13(11)15/h10-15H,2-9H2,1H3.
What are the key properties of 2-[[(2-methylthian-3-yl)amino]methyl]cyclohexan-1-ol?
2-[[(2-methylthian-3-yl)amino]methyl]cyclohexan-1-ol 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]methyl]cyclohexan-1-ol is sourced from PubChem (CID 79957776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).