5-(2,2,4,4-tetramethylpentylsulfanylmethyl)pyrrolidin-2-ol

C14H29NOS — CID 123808890

IUPAC5-(2,2,4,4-tetramethylpentylsulfanylmethyl)pyrrolidin-2-ol
SMILESCC(C)(C)CC(C)(C)CSCC1CCC(O)N1
InChIInChI=1S/C14H29NOS/c1-13(2,3)9-14(4,5)10-17-8-11-6-7-12(16)15-11/h11-12,15-16H,6-10H2,1-5H3
InChIKeyPBMSMZHVGNICNV-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.25
Rot. Bonds5

About 5-(2,2,4,4-tetramethylpentylsulfanylmethyl)pyrrolidin-2-ol

5-(2,2,4,4-tetramethylpentylsulfanylmethyl)pyrrolidin-2-ol (PubChem CID 123808890) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 5-(2,2,4,4-tetramethylpentylsulfanylmethyl)pyrrolidin-2-ol.

Molecular Properties

Compound Name5-(2,2,4,4-tetramethylpentylsulfanylmethyl)pyrrolidin-2-ol
PubChem CID123808890
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name5-(2,2,4,4-tetramethylpentylsulfanylmethyl)pyrrolidin-2-ol
SMILESCC(C)(C)CC(C)(C)CSCC1CCC(O)N1
InChIInChI=1S/C14H29NOS/c1-13(2,3)9-14(4,5)10-17-8-11-6-7-12(16)15-11/h11-12,15-16H,6-10H2,1-5H3
InChIKeyPBMSMZHVGNICNV-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2,2,4,4-tetramethylpentylsulfanylmethyl)pyrrolidin-2-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 5-(2,2,4,4-tetramethylpentylsulfanylmethyl)pyrrolidin-2-ol?
The IUPAC name of 5-(2,2,4,4-tetramethylpentylsulfanylmethyl)pyrrolidin-2-ol (CID 123808890) is 5-(2,2,4,4-tetramethylpentylsulfanylmethyl)pyrrolidin-2-ol.
What is the SMILES notation for 5-(2,2,4,4-tetramethylpentylsulfanylmethyl)pyrrolidin-2-ol?
The canonical SMILES for 5-(2,2,4,4-tetramethylpentylsulfanylmethyl)pyrrolidin-2-ol is CC(C)(C)CC(C)(C)CSCC1CCC(O)N1.
What is the InChIKey of 5-(2,2,4,4-tetramethylpentylsulfanylmethyl)pyrrolidin-2-ol?
The InChIKey is PBMSMZHVGNICNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-13(2,3)9-14(4,5)10-17-8-11-6-7-12(16)15-11/h11-12,15-16H,6-10H2,1-5H3.
What are the key properties of 5-(2,2,4,4-tetramethylpentylsulfanylmethyl)pyrrolidin-2-ol?
5-(2,2,4,4-tetramethylpentylsulfanylmethyl)pyrrolidin-2-ol has a molecular weight of 259.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,4,4-tetramethylpentylsulfanylmethyl)pyrrolidin-2-ol is sourced from PubChem (CID 123808890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).