3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide

C14H24N4O3S — CID 135104096

IUPAC3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1C[C@@H](Cc2cnccn2)[C@H](O)C1
InChIInChI=1S/C14H24N4O3S/c1-17(2)22(20,21)7-3-6-18-10-12(14(19)11-18)8-13-9-15-4-5-16-13/h4-5,9,12,14,19H,3,6-8,10-11H2,1-2H3/t12-,14-/m1/s1
InChIKeyWSZFSDBHADAHCM-TZMCWYRMSA-N
MW328.44 g/mol
LogP-0.41
Rot. Bonds7

About 3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide

3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide (PubChem CID 135104096) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
PubChem CID135104096
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1C[C@@H](Cc2cnccn2)[C@H](O)C1
InChIInChI=1S/C14H24N4O3S/c1-17(2)22(20,21)7-3-6-18-10-12(14(19)11-18)8-13-9-15-4-5-16-13/h4-5,9,12,14,19H,3,6-8,10-11H2,1-2H3/t12-,14-/m1/s1
InChIKeyWSZFSDBHADAHCM-TZMCWYRMSA-N
XLogP-0.41
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide 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-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide (CID 135104096) is 3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide is CN(C)S(=O)(=O)CCCN1C[C@@H](Cc2cnccn2)[C@H](O)C1.
What is the InChIKey of 3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is WSZFSDBHADAHCM-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-17(2)22(20,21)7-3-6-18-10-12(14(19)11-18)8-13-9-15-4-5-16-13/h4-5,9,12,14,19H,3,6-8,10-11H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of 3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 328.44 g/mol, XLogP of -0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 135104096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).