(3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol

C12H22N4O3S — CID 125419860

IUPAC(3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](O)[C@@H](N(C)C)C1
InChIInChI=1S/C12H22N4O3S/c1-8-12(9(2)15(5)13-8)20(18,19)16-6-10(14(3)4)11(17)7-16/h10-11,17H,6-7H2,1-5H3/t10-,11-/m0/s1
InChIKeyFYGKKTSYVNZWCU-QWRGUYRKSA-N
MW302.40 g/mol
LogP-0.67
Rot. Bonds3

About (3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol

(3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol (PubChem CID 125419860) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is (3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
PubChem CID125419860
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name(3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](O)[C@@H](N(C)C)C1
InChIInChI=1S/C12H22N4O3S/c1-8-12(9(2)15(5)13-8)20(18,19)16-6-10(14(3)4)11(17)7-16/h10-11,17H,6-7H2,1-5H3/t10-,11-/m0/s1
InChIKeyFYGKKTSYVNZWCU-QWRGUYRKSA-N
XLogP-0.67
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-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 (3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol (CID 125419860) is (3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol is Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](O)[C@@H](N(C)C)C1.
What is the InChIKey of (3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol?
The InChIKey is FYGKKTSYVNZWCU-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-8-12(9(2)15(5)13-8)20(18,19)16-6-10(14(3)4)11(17)7-16/h10-11,17H,6-7H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of (3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol?
(3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol has a molecular weight of 302.40 g/mol, XLogP of -0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 125419860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).