[3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol

C13H20N2O3S — CID 102782223

IUPAC[3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol
SMILESCNc1ccc(S(=O)(=O)N2CCC(C)C2CO)cc1
InChIInChI=1S/C13H20N2O3S/c1-10-7-8-15(13(10)9-16)19(17,18)12-5-3-11(14-2)4-6-12/h3-6,10,13-14,16H,7-9H2,1-2H3
InChIKeyNFLUOAUIQWSCJM-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.12
Rot. Bonds4

About [3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol

[3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol (PubChem CID 102782223) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is [3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol
PubChem CID102782223
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name[3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol
SMILESCNc1ccc(S(=O)(=O)N2CCC(C)C2CO)cc1
InChIInChI=1S/C13H20N2O3S/c1-10-7-8-15(13(10)9-16)19(17,18)12-5-3-11(14-2)4-6-12/h3-6,10,13-14,16H,7-9H2,1-2H3
InChIKeyNFLUOAUIQWSCJM-UHFFFAOYSA-N
XLogP1.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-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

Related Compounds

[1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102789177
[1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102786155
[3-methyl-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 102786152
5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylbenzoic acid
CID 102778354
[1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778534
[1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789173
5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylbenzamide
CID 102786347
[1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789194
[3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 102786318
[1-(ethylsulfonimidoyl)-3-methylpyrrolidin-2-yl]methanol
CID 164648332
[(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol
CID 98794710
[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 107327561

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol (CID 102782223) is [3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol is CNc1ccc(S(=O)(=O)N2CCC(C)C2CO)cc1.
What is the InChIKey of [3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is NFLUOAUIQWSCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-7-8-15(13(10)9-16)19(17,18)12-5-3-11(14-2)4-6-12/h3-6,10,13-14,16H,7-9H2,1-2H3.
What are the key properties of [3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol?
[3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 284.38 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102782223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).