3-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-sulfonamide

C9H14N4O2S — CID 71638162

IUPAC3-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-sulfonamide
SMILESCc1nccnc1S(=O)(=O)N[C@H]1CCNC1
InChIInChI=1S/C9H14N4O2S/c1-7-9(12-5-4-11-7)16(14,15)13-8-2-3-10-6-8/h4-5,8,10,13H,2-3,6H2,1H3/t8-/m0/s1
InChIKeySMJWPMGOMGPQDX-QMMMGPOBSA-N
MW242.30 g/mol
LogP-0.57
Rot. Bonds3

About 3-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-sulfonamide

3-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-sulfonamide (PubChem CID 71638162) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-sulfonamide
PubChem CID71638162
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name3-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-sulfonamide
SMILESCc1nccnc1S(=O)(=O)N[C@H]1CCNC1
InChIInChI=1S/C9H14N4O2S/c1-7-9(12-5-4-11-7)16(14,15)13-8-2-3-10-6-8/h4-5,8,10,13H,2-3,6H2,1H3/t8-/m0/s1
InChIKeySMJWPMGOMGPQDX-QMMMGPOBSA-N
XLogP-0.57
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2-sulfonamide
CID 71638955
N-pyrrolidin-3-yl-1H-imidazole-2-sulfonamide
CID 130591651
2-methyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide
CID 104709475
1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide
CID 79684858
3-chloro-N-piperidin-3-ylpyridine-2-sulfonamide
CID 71639797
8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide
CID 104774085
1-pyrazin-2-yl-N-pyrrolidin-3-ylethanesulfonamide;hydrochloride
CID 71637485
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 84597452
N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 62380285
(1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 97162039
N-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide
CID 130747992

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-sulfonamide?
The IUPAC name of 3-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-sulfonamide (CID 71638162) is 3-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-sulfonamide.
What is the SMILES notation for 3-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-sulfonamide?
The canonical SMILES for 3-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-sulfonamide is Cc1nccnc1S(=O)(=O)N[C@H]1CCNC1.
What is the InChIKey of 3-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-sulfonamide?
The InChIKey is SMJWPMGOMGPQDX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-7-9(12-5-4-11-7)16(14,15)13-8-2-3-10-6-8/h4-5,8,10,13H,2-3,6H2,1H3/t8-/m0/s1.
What are the key properties of 3-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-sulfonamide?
3-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-sulfonamide has a molecular weight of 242.30 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-sulfonamide is sourced from PubChem (CID 71638162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).