(3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide

C15H22N6O2S — CID 124981650

IUPAC(3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@@H](Cc2cnc(-c3nccn3C)cn2)C1
InChIInChI=1S/C15H22N6O2S/c1-19(2)24(22,23)21-6-4-12(11-21)8-13-9-18-14(10-17-13)15-16-5-7-20(15)3/h5,7,9-10,12H,4,6,8,11H2,1-3H3/t12-/m0/s1
InChIKeyMRMUPBXZFAGRKB-LBPRGKRZSA-N
MW350.45 g/mol
LogP0.55
Rot. Bonds5

About (3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide

(3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide (PubChem CID 124981650) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
PubChem CID124981650
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name(3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@@H](Cc2cnc(-c3nccn3C)cn2)C1
InChIInChI=1S/C15H22N6O2S/c1-19(2)24(22,23)21-6-4-12(11-21)8-13-9-18-14(10-17-13)15-16-5-7-20(15)3/h5,7,9-10,12H,4,6,8,11H2,1-3H3/t12-/m0/s1
InChIKeyMRMUPBXZFAGRKB-LBPRGKRZSA-N
XLogP0.55
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-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

Related Compounds

(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125017693
(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 124947593
N,N-dimethyl-4-[[5-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
CID 155983374
2-(1-methylimidazol-2-yl)-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]pyrazine
CID 110109866
[(3S)-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 124991268
[(3S)-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 125006434
N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide
CID 110099457
[4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110131951
4-methyl-5-[[4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099760
(4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide
CID 124961659
2-(1-methylimidazol-2-yl)-3-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrazine
CID 124968603
(3R)-N,N-dimethyl-3-[[6-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124959917

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of (3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide (CID 124981650) is (3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for (3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for (3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CC[C@@H](Cc2cnc(-c3nccn3C)cn2)C1.
What is the InChIKey of (3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is MRMUPBXZFAGRKB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-19(2)24(22,23)21-6-4-12(11-21)8-13-9-18-14(10-17-13)15-16-5-7-20(15)3/h5,7,9-10,12H,4,6,8,11H2,1-3H3/t12-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide?
(3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 350.45 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-3-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 124981650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).