2-cyclopentyl-2-(3-ethylsulfonylpropyl)propane-1,3-diol

C13H26O4S — CID 112570929

IUPAC2-cyclopentyl-2-(3-ethylsulfonylpropyl)propane-1,3-diol
SMILESCCS(=O)(=O)CCCC(CO)(CO)C1CCCC1
InChIInChI=1S/C13H26O4S/c1-2-18(16,17)9-5-8-13(10-14,11-15)12-6-3-4-7-12/h12,14-15H,2-11H2,1H3
InChIKeyRNYIWNAAMCNIMW-UHFFFAOYSA-N
MW278.41 g/mol
LogP1.36
Rot. Bonds8

About 2-cyclopentyl-2-(3-ethylsulfonylpropyl)propane-1,3-diol

2-cyclopentyl-2-(3-ethylsulfonylpropyl)propane-1,3-diol (PubChem CID 112570929) has the molecular formula C13H26O4S and a molecular weight of 278.41 g/mol. Its IUPAC name is 2-cyclopentyl-2-(3-ethylsulfonylpropyl)propane-1,3-diol.

Molecular Properties

Compound Name2-cyclopentyl-2-(3-ethylsulfonylpropyl)propane-1,3-diol
PubChem CID112570929
Molecular FormulaC13H26O4S
Molecular Weight278.41 g/mol
Exact Mass278.16
IUPAC Name2-cyclopentyl-2-(3-ethylsulfonylpropyl)propane-1,3-diol
SMILESCCS(=O)(=O)CCCC(CO)(CO)C1CCCC1
InChIInChI=1S/C13H26O4S/c1-2-18(16,17)9-5-8-13(10-14,11-15)12-6-3-4-7-12/h12,14-15H,2-11H2,1H3
InChIKeyRNYIWNAAMCNIMW-UHFFFAOYSA-N
XLogP1.36
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-2-(3-ethylsulfonylpropyl)propane-1,3-diol 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-cyclopropyl-5-ethylsulfonylpentan-2-ol
CID 65147052
2-cyclopentyl-2-(2-methoxyethyl)propane-1,3-diol
CID 112570934
2-(3-ethylsulfonylpropyl)-2-propylpropane-1,3-diol
CID 79450281
tert-butyl N-[2-cyclopropyl-4-ethylsulfonyl-2-(hydroxymethyl)butyl]carbamate
CID 106730790
2-cyclopentyl-2-ethylpropane-1,3-diol;bis(2-methylprop-2-enoic acid)
CID 67708962
1-ethylsulfonyl-4,4-dimethylpentane
CID 11148231
2-cyclopropyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine
CID 83147780
3-ethyl-6-ethylsulfonylhexan-3-ol
CID 65144971
silyl 5-cyclopentyl-5-propyloctanoate
CID 123138842
1-cycloheptyl-4-ethylsulfonylbutan-1-ol
CID 65399225
[1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane
CID 112571210
1-ethylsulfonyl-6-methyl-4-(2-methylpropyl)heptan-4-ol
CID 114865370

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(3-ethylsulfonylpropyl)propane-1,3-diol?
The IUPAC name of 2-cyclopentyl-2-(3-ethylsulfonylpropyl)propane-1,3-diol (CID 112570929) is 2-cyclopentyl-2-(3-ethylsulfonylpropyl)propane-1,3-diol.
What is the SMILES notation for 2-cyclopentyl-2-(3-ethylsulfonylpropyl)propane-1,3-diol?
The canonical SMILES for 2-cyclopentyl-2-(3-ethylsulfonylpropyl)propane-1,3-diol is CCS(=O)(=O)CCCC(CO)(CO)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(3-ethylsulfonylpropyl)propane-1,3-diol?
The InChIKey is RNYIWNAAMCNIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4S/c1-2-18(16,17)9-5-8-13(10-14,11-15)12-6-3-4-7-12/h12,14-15H,2-11H2,1H3.
What are the key properties of 2-cyclopentyl-2-(3-ethylsulfonylpropyl)propane-1,3-diol?
2-cyclopentyl-2-(3-ethylsulfonylpropyl)propane-1,3-diol has a molecular weight of 278.41 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(3-ethylsulfonylpropyl)propane-1,3-diol is sourced from PubChem (CID 112570929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).