[3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol

C14H22N2O3S — CID 81469076

IUPAC[3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol
SMILESCC1CN(S(=O)(=O)c2cccc(CO)c2)CC1N(C)C
InChIInChI=1S/C14H22N2O3S/c1-11-8-16(9-14(11)15(2)3)20(18,19)13-6-4-5-12(7-13)10-17/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyFNRVUMXJBDYGJN-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.75
Rot. Bonds4

About [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol

[3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol (PubChem CID 81469076) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol.

Molecular Properties

Compound Name[3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol
PubChem CID81469076
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol
SMILESCC1CN(S(=O)(=O)c2cccc(CO)c2)CC1N(C)C
InChIInChI=1S/C14H22N2O3S/c1-11-8-16(9-14(11)15(2)3)20(18,19)13-6-4-5-12(7-13)10-17/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyFNRVUMXJBDYGJN-UHFFFAOYSA-N
XLogP0.75
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]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 [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol?
The IUPAC name of [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol (CID 81469076) is [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol.
What is the SMILES notation for [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol?
The canonical SMILES for [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol is CC1CN(S(=O)(=O)c2cccc(CO)c2)CC1N(C)C.
What is the InChIKey of [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol?
The InChIKey is FNRVUMXJBDYGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-8-16(9-14(11)15(2)3)20(18,19)13-6-4-5-12(7-13)10-17/h4-7,11,14,17H,8-10H2,1-3H3.
What are the key properties of [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol?
[3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol has a molecular weight of 298.41 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol is sourced from PubChem (CID 81469076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).