(1-butylsulfonylpyrrolidin-3-yl)methanol

C9H19NO3S — CID 62370811

IUPAC(1-butylsulfonylpyrrolidin-3-yl)methanol
SMILESCCCCS(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C9H19NO3S/c1-2-3-6-14(12,13)10-5-4-9(7-10)8-11/h9,11H,2-8H2,1H3
InChIKeyZSRXGKRYYBGUCK-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.43
Rot. Bonds5

About (1-butylsulfonylpyrrolidin-3-yl)methanol

(1-butylsulfonylpyrrolidin-3-yl)methanol (PubChem CID 62370811) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is (1-butylsulfonylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(1-butylsulfonylpyrrolidin-3-yl)methanol
PubChem CID62370811
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name(1-butylsulfonylpyrrolidin-3-yl)methanol
SMILESCCCCS(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C9H19NO3S/c1-2-3-6-14(12,13)10-5-4-9(7-10)8-11/h9,11H,2-8H2,1H3
InChIKeyZSRXGKRYYBGUCK-UHFFFAOYSA-N
XLogP0.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-butylsulfonylpyrrolidin-3-yl)methanol 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 (1-butylsulfonylpyrrolidin-3-yl)methanol?
The IUPAC name of (1-butylsulfonylpyrrolidin-3-yl)methanol (CID 62370811) is (1-butylsulfonylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (1-butylsulfonylpyrrolidin-3-yl)methanol?
The canonical SMILES for (1-butylsulfonylpyrrolidin-3-yl)methanol is CCCCS(=O)(=O)N1CCC(CO)C1.
What is the InChIKey of (1-butylsulfonylpyrrolidin-3-yl)methanol?
The InChIKey is ZSRXGKRYYBGUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-2-3-6-14(12,13)10-5-4-9(7-10)8-11/h9,11H,2-8H2,1H3.
What are the key properties of (1-butylsulfonylpyrrolidin-3-yl)methanol?
(1-butylsulfonylpyrrolidin-3-yl)methanol has a molecular weight of 221.32 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylsulfonylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 62370811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).