2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol

C13H25NOS — CID 115727241

IUPAC2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol
SMILESOCCC1(CNC2CCSC2)CCCCC1
InChIInChI=1S/C13H25NOS/c15-8-7-13(5-2-1-3-6-13)11-14-12-4-9-16-10-12/h12,14-15H,1-11H2
InChIKeyFVLGLSZTTHFREE-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.41
Rot. Bonds5

About 2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol

2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol (PubChem CID 115727241) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol
PubChem CID115727241
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol
SMILESOCCC1(CNC2CCSC2)CCCCC1
InChIInChI=1S/C13H25NOS/c15-8-7-13(5-2-1-3-6-13)11-14-12-4-9-16-10-12/h12,14-15H,1-11H2
InChIKeyFVLGLSZTTHFREE-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze 2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(cyclohexylamino)methyl]cyclohexyl]ethanol
CID 111974878
[1-[(thian-3-ylamino)methyl]cyclohexyl]methanol
CID 103966001
(3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine
CID 126454601
N-[(1-ethylcyclopentyl)methyl]thian-3-amine
CID 115882236
2-[1-[(oxolan-3-ylamino)methyl]cyclohexyl]ethanol
CID 115689746
3-[(thiolan-3-ylamino)methyl]piperidin-3-ol
CID 105470495
N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine
CID 55051725
N-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine
CID 115882230
2-[1-(2-hydroxyethyl)cyclononadecyl]ethanol
CID 150954870
2-[1-(2-hydroxyethyl)cyclodecyl]ethanol
CID 18618783
2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol
CID 114756019
2-[1-[(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)methyl]cyclopropyl]ethanol
CID 114750752

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol?
The IUPAC name of 2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol (CID 115727241) is 2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol.
What is the SMILES notation for 2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol?
The canonical SMILES for 2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol is OCCC1(CNC2CCSC2)CCCCC1.
What is the InChIKey of 2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol?
The InChIKey is FVLGLSZTTHFREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c15-8-7-13(5-2-1-3-6-13)11-14-12-4-9-16-10-12/h12,14-15H,1-11H2.
What are the key properties of 2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol?
2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol has a molecular weight of 243.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol is sourced from PubChem (CID 115727241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).