3-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol

C11H21NO3S — CID 43751417

IUPAC3-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol
SMILESO=S1(=O)CCC(NC2CCCC(O)C2)CC1
InChIInChI=1S/C11H21NO3S/c13-11-3-1-2-10(8-11)12-9-4-6-16(14,15)7-5-9/h9-13H,1-8H2
InChIKeyCBWGSWFKGITXNJ-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.46
Rot. Bonds2

About 3-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol

3-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol (PubChem CID 43751417) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol
PubChem CID43751417
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name3-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol
SMILESO=S1(=O)CCC(NC2CCCC(O)C2)CC1
InChIInChI=1S/C11H21NO3S/c13-11-3-1-2-10(8-11)12-9-4-6-16(14,15)7-5-9/h9-13H,1-8H2
InChIKeyCBWGSWFKGITXNJ-UHFFFAOYSA-N
XLogP0.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(1,1-dioxothian-4-yl)amino]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 3-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 3-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol (CID 43751417) is 3-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 3-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol is O=S1(=O)CCC(NC2CCCC(O)C2)CC1.
What is the InChIKey of 3-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol?
The InChIKey is CBWGSWFKGITXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c13-11-3-1-2-10(8-11)12-9-4-6-16(14,15)7-5-9/h9-13H,1-8H2.
What are the key properties of 3-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol?
3-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothian-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 43751417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).