4-ethyl-1-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol

C14H27NO2S — CID 65115890

IUPAC4-ethyl-1-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CCS(=O)CC2)CC1
InChIInChI=1S/C14H27NO2S/c1-2-12-3-7-14(16,8-4-12)11-15-13-5-9-18(17)10-6-13/h12-13,15-16H,2-11H2,1H3
InChIKeyOQGZYOPVHQONTR-UHFFFAOYSA-N
MW273.44 g/mol
LogP1.82
Rot. Bonds4

About 4-ethyl-1-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol

4-ethyl-1-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65115890) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 4-ethyl-1-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65115890
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name4-ethyl-1-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CCS(=O)CC2)CC1
InChIInChI=1S/C14H27NO2S/c1-2-12-3-7-14(16,8-4-12)11-15-13-5-9-18(17)10-6-13/h12-13,15-16H,2-11H2,1H3
InChIKeyOQGZYOPVHQONTR-UHFFFAOYSA-N
XLogP1.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-1-[[(1-oxothian-4-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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol (CID 65115890) is 4-ethyl-1-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNC2CCS(=O)CC2)CC1.
What is the InChIKey of 4-ethyl-1-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is OQGZYOPVHQONTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-2-12-3-7-14(16,8-4-12)11-15-13-5-9-18(17)10-6-13/h12-13,15-16H,2-11H2,1H3.
What are the key properties of 4-ethyl-1-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 273.44 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65115890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).