[1-[(thian-3-ylamino)methyl]cyclohexyl]methanol

C13H25NOS — CID 103966001

IUPAC[1-[(thian-3-ylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNC2CCCSC2)CCCCC1
InChIInChI=1S/C13H25NOS/c15-11-13(6-2-1-3-7-13)10-14-12-5-4-8-16-9-12/h12,14-15H,1-11H2
InChIKeyTWTSQLFONSHHBQ-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.41
Rot. Bonds4

About [1-[(thian-3-ylamino)methyl]cyclohexyl]methanol

[1-[(thian-3-ylamino)methyl]cyclohexyl]methanol (PubChem CID 103966001) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is [1-[(thian-3-ylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(thian-3-ylamino)methyl]cyclohexyl]methanol
PubChem CID103966001
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name[1-[(thian-3-ylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNC2CCCSC2)CCCCC1
InChIInChI=1S/C13H25NOS/c15-11-13(6-2-1-3-7-13)10-14-12-5-4-8-16-9-12/h12,14-15H,1-11H2
InChIKeyTWTSQLFONSHHBQ-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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 [1-[(thian-3-ylamino)methyl]cyclohexyl]methanol 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

N-[(1-ethylcyclopentyl)methyl]thian-3-amine
CID 115882236
2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol
CID 115727241
N-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine
CID 115882230
[1-[[(4,4-dimethylthian-3-yl)amino]methyl]cyclohexyl]methanol
CID 113359583
[1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol
CID 81435372
(3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine
CID 126454601
[1-[[(1-oxothian-4-yl)amino]methyl]cyclohexyl]methanol
CID 113359582
4-ethyl-1-[(thian-3-ylamino)methyl]cyclohexan-1-ol
CID 65116047
2-[1-[(cyclohexylamino)methyl]cyclohexyl]ethanol
CID 111974878
3-methyl-1-[(thian-3-ylamino)methyl]cyclohexan-1-ol
CID 65116501
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide
CID 115362677
[1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol
CID 81419732

Frequently Asked Questions

What is the IUPAC name of [1-[(thian-3-ylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(thian-3-ylamino)methyl]cyclohexyl]methanol (CID 103966001) is [1-[(thian-3-ylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(thian-3-ylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(thian-3-ylamino)methyl]cyclohexyl]methanol is OCC1(CNC2CCCSC2)CCCCC1.
What is the InChIKey of [1-[(thian-3-ylamino)methyl]cyclohexyl]methanol?
The InChIKey is TWTSQLFONSHHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c15-11-13(6-2-1-3-7-13)10-14-12-5-4-8-16-9-12/h12,14-15H,1-11H2.
What are the key properties of [1-[(thian-3-ylamino)methyl]cyclohexyl]methanol?
[1-[(thian-3-ylamino)methyl]cyclohexyl]methanol has a molecular weight of 243.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(thian-3-ylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 103966001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).