1-cyano-N-(1H-imidazol-2-ylmethyl)methanesulfonamide

C6H8N4O2S — CID 64529391

IUPAC1-cyano-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
SMILESN#CCS(=O)(=O)NCc1ncc[nH]1
InChIInChI=1S/C6H8N4O2S/c7-1-4-13(11,12)10-5-6-8-2-3-9-6/h2-3,10H,4-5H2,(H,8,9)
InChIKeyGMVWVXOIRNQPCF-UHFFFAOYSA-N
MW200.22 g/mol
LogP-0.65
Rot. Bonds4

About 1-cyano-N-(1H-imidazol-2-ylmethyl)methanesulfonamide

1-cyano-N-(1H-imidazol-2-ylmethyl)methanesulfonamide (PubChem CID 64529391) has the molecular formula C6H8N4O2S and a molecular weight of 200.22 g/mol. Its IUPAC name is 1-cyano-N-(1H-imidazol-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
PubChem CID64529391
Molecular FormulaC6H8N4O2S
Molecular Weight200.22 g/mol
Exact Mass200.04
IUPAC Name1-cyano-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
SMILESN#CCS(=O)(=O)NCc1ncc[nH]1
InChIInChI=1S/C6H8N4O2S/c7-1-4-13(11,12)10-5-6-8-2-3-9-6/h2-3,10H,4-5H2,(H,8,9)
InChIKeyGMVWVXOIRNQPCF-UHFFFAOYSA-N
XLogP-0.65
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1H-imidazol-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(1H-imidazol-2-ylmethyl)methanesulfonamide (CID 64529391) is 1-cyano-N-(1H-imidazol-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(1H-imidazol-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(1H-imidazol-2-ylmethyl)methanesulfonamide is N#CCS(=O)(=O)NCc1ncc[nH]1.
What is the InChIKey of 1-cyano-N-(1H-imidazol-2-ylmethyl)methanesulfonamide?
The InChIKey is GMVWVXOIRNQPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2S/c7-1-4-13(11,12)10-5-6-8-2-3-9-6/h2-3,10H,4-5H2,(H,8,9).
What are the key properties of 1-cyano-N-(1H-imidazol-2-ylmethyl)methanesulfonamide?
1-cyano-N-(1H-imidazol-2-ylmethyl)methanesulfonamide has a molecular weight of 200.22 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1H-imidazol-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 64529391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).