2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide

C7H11ClN4O2S — CID 106341535

IUPAC2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nccnc1Cl
InChIInChI=1S/C7H11ClN4O2S/c1-9-15(13,14)5-4-12-7-6(8)10-2-3-11-7/h2-3,9H,4-5H2,1H3,(H,11,12)
InChIKeyOLYJAJUKYQNJPY-UHFFFAOYSA-N
MW250.71 g/mol
LogP0.09
Rot. Bonds5

About 2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide

2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide (PubChem CID 106341535) has the molecular formula C7H11ClN4O2S and a molecular weight of 250.71 g/mol. Its IUPAC name is 2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide
PubChem CID106341535
Molecular FormulaC7H11ClN4O2S
Molecular Weight250.71 g/mol
Exact Mass250.03
IUPAC Name2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nccnc1Cl
InChIInChI=1S/C7H11ClN4O2S/c1-9-15(13,14)5-4-12-7-6(8)10-2-3-11-7/h2-3,9H,4-5H2,1H3,(H,11,12)
InChIKeyOLYJAJUKYQNJPY-UHFFFAOYSA-N
XLogP0.09
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-piperazin-1-ylpyrazin-2-yl)methanesulfonamide
CID 172436854
6-chloro-N-(2-thiomorpholin-4-ylsulfonylethyl)pyrazin-2-amine
CID 53626240
N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 102990114
2-amino-N-pyrazin-2-ylethanesulfonamide
CID 43616147
2-[(6-Chloropyrazin-2-yl)amino]ethanesulfonamide
CID 10376849
N-(3-chloropyrazin-2-yl)methanesulfonamide
CID 11229538
N-pyrazin-2-ylethanesulfonamide
CID 22772905
N-pyrazin-2-ylbutane-1-sulfonamide
CID 22772906
N-(5-Chloro-2-pyrazinyl)-N-methylethanesulfonamide
CID 58574105
2-(methylamino)-N-pyrazin-2-ylethanesulfonamide
CID 61547276
N-methyl-N-pyrazin-2-ylethanesulfonamide
CID 67997931
1-[2-[(3-Chloropyrazin-2-yl)-methylamino]ethylsulfanyl]-3-methylurea
CID 88762766

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide (CID 106341535) is 2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1nccnc1Cl.
What is the InChIKey of 2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide?
The InChIKey is OLYJAJUKYQNJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O2S/c1-9-15(13,14)5-4-12-7-6(8)10-2-3-11-7/h2-3,9H,4-5H2,1H3,(H,11,12).
What are the key properties of 2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide?
2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide has a molecular weight of 250.71 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106341535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).