1-[(pyrazin-2-ylamino)methyl]cyclobutane-1-sulfonamide

C9H14N4O2S — CID 138030173

IUPAC1-[(pyrazin-2-ylamino)methyl]cyclobutane-1-sulfonamide
SMILESNS(=O)(=O)C1(CNc2cnccn2)CCC1
InChIInChI=1S/C9H14N4O2S/c10-16(14,15)9(2-1-3-9)7-13-8-6-11-4-5-12-8/h4-6H,1-3,7H2,(H,12,13)(H2,10,14,15)
InChIKeyZLWPYGGRSDNCRH-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.10
Rot. Bonds4

About 1-[(pyrazin-2-ylamino)methyl]cyclobutane-1-sulfonamide

1-[(pyrazin-2-ylamino)methyl]cyclobutane-1-sulfonamide (PubChem CID 138030173) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-[(pyrazin-2-ylamino)methyl]cyclobutane-1-sulfonamide.

Molecular Properties

Compound Name1-[(pyrazin-2-ylamino)methyl]cyclobutane-1-sulfonamide
PubChem CID138030173
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name1-[(pyrazin-2-ylamino)methyl]cyclobutane-1-sulfonamide
SMILESNS(=O)(=O)C1(CNc2cnccn2)CCC1
InChIInChI=1S/C9H14N4O2S/c10-16(14,15)9(2-1-3-9)7-13-8-6-11-4-5-12-8/h4-6H,1-3,7H2,(H,12,13)(H2,10,14,15)
InChIKeyZLWPYGGRSDNCRH-UHFFFAOYSA-N
XLogP0.10
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(pyrazin-2-ylamino)methyl]cyclobutane-1-sulfonamide?
The IUPAC name of 1-[(pyrazin-2-ylamino)methyl]cyclobutane-1-sulfonamide (CID 138030173) is 1-[(pyrazin-2-ylamino)methyl]cyclobutane-1-sulfonamide.
What is the SMILES notation for 1-[(pyrazin-2-ylamino)methyl]cyclobutane-1-sulfonamide?
The canonical SMILES for 1-[(pyrazin-2-ylamino)methyl]cyclobutane-1-sulfonamide is NS(=O)(=O)C1(CNc2cnccn2)CCC1.
What is the InChIKey of 1-[(pyrazin-2-ylamino)methyl]cyclobutane-1-sulfonamide?
The InChIKey is ZLWPYGGRSDNCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c10-16(14,15)9(2-1-3-9)7-13-8-6-11-4-5-12-8/h4-6H,1-3,7H2,(H,12,13)(H2,10,14,15).
What are the key properties of 1-[(pyrazin-2-ylamino)methyl]cyclobutane-1-sulfonamide?
1-[(pyrazin-2-ylamino)methyl]cyclobutane-1-sulfonamide has a molecular weight of 242.30 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(pyrazin-2-ylamino)methyl]cyclobutane-1-sulfonamide is sourced from PubChem (CID 138030173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).