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

C12H23NOS — CID 65208243

IUPAC1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCN(CC1(O)CCCCC1)C1CCSC1
InChIInChI=1S/C12H23NOS/c1-13(11-5-8-15-9-11)10-12(14)6-3-2-4-7-12/h11,14H,2-10H2,1H3
InChIKeyQRALTVBBIGMRDK-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.12
Rot. Bonds3

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

1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65208243) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65208243
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCN(CC1(O)CCCCC1)C1CCSC1
InChIInChI=1S/C12H23NOS/c1-13(11-5-8-15-9-11)10-12(14)6-3-2-4-7-12/h11,14H,2-10H2,1H3
InChIKeyQRALTVBBIGMRDK-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol 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

1-[1-(1,3-Thiazolidin-3-yl)ethyl]cyclohexan-1-ol
CID 69985764
1-(Thiomorpholin-4-ylmethyl)cyclohexan-1-ol
CID 61518433
1-[[(1,1-Dioxothiolan-3-yl)-methylamino]methyl]cyclohexan-1-ol
CID 61518781
1-{[(Thiolan-3-yl)amino]methyl}cyclohexan-1-ol
CID 65107483
4-Methyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol
CID 65115212
1-[(3-Methylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
CID 65208261
1-[(2,6-Dimethylthiomorpholin-4-yl)methyl]cyclohexan-1-ol
CID 65208316
1-(1,4-Thiazepan-4-ylmethyl)cyclohexan-1-ol
CID 65208589
1-[[Methyl(thiolan-3-yl)amino]methyl]cyclopentan-1-ol
CID 65212719
1-((3-Methylthiomorpholino)methyl)cyclopentan-1-ol
CID 65212845
1-[[(5-Methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol
CID 79949972
4-Methyl-1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexan-1-ol
CID 79950093

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol (CID 65208243) is 1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol is CN(CC1(O)CCCCC1)C1CCSC1.
What is the InChIKey of 1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is QRALTVBBIGMRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-13(11-5-8-15-9-11)10-12(14)6-3-2-4-7-12/h11,14H,2-10H2,1H3.
What are the key properties of 1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol?
1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 229.39 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65208243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).