N-(1,3,5-triazin-2-ylsulfonyl)formamide

C4H4N4O3S — CID 173146461

IUPACN-(1,3,5-triazin-2-ylsulfonyl)formamide
SMILESO=CNS(=O)(=O)c1ncncn1
InChIInChI=1S/C4H4N4O3S/c9-3-8-12(10,11)4-6-1-5-2-7-4/h1-3H,(H,8,9)
InChIKeyJKCQQRNGCMAUQP-UHFFFAOYSA-N
MW188.17 g/mol
LogP-1.69
Rot. Bonds3

About N-(1,3,5-triazin-2-ylsulfonyl)formamide

N-(1,3,5-triazin-2-ylsulfonyl)formamide (PubChem CID 173146461) has the molecular formula C4H4N4O3S and a molecular weight of 188.17 g/mol. Its IUPAC name is N-(1,3,5-triazin-2-ylsulfonyl)formamide.

Molecular Properties

Compound NameN-(1,3,5-triazin-2-ylsulfonyl)formamide
PubChem CID173146461
Molecular FormulaC4H4N4O3S
Molecular Weight188.17 g/mol
Exact Mass188.00
IUPAC NameN-(1,3,5-triazin-2-ylsulfonyl)formamide
SMILESO=CNS(=O)(=O)c1ncncn1
InChIInChI=1S/C4H4N4O3S/c9-3-8-12(10,11)4-6-1-5-2-7-4/h1-3H,(H,8,9)
InChIKeyJKCQQRNGCMAUQP-UHFFFAOYSA-N
XLogP-1.69
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,5-triazin-2-ylsulfonyl)formamide?
The IUPAC name of N-(1,3,5-triazin-2-ylsulfonyl)formamide (CID 173146461) is N-(1,3,5-triazin-2-ylsulfonyl)formamide.
What is the SMILES notation for N-(1,3,5-triazin-2-ylsulfonyl)formamide?
The canonical SMILES for N-(1,3,5-triazin-2-ylsulfonyl)formamide is O=CNS(=O)(=O)c1ncncn1.
What is the InChIKey of N-(1,3,5-triazin-2-ylsulfonyl)formamide?
The InChIKey is JKCQQRNGCMAUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O3S/c9-3-8-12(10,11)4-6-1-5-2-7-4/h1-3H,(H,8,9).
What are the key properties of N-(1,3,5-triazin-2-ylsulfonyl)formamide?
N-(1,3,5-triazin-2-ylsulfonyl)formamide has a molecular weight of 188.17 g/mol, XLogP of -1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,5-triazin-2-ylsulfonyl)formamide is sourced from PubChem (CID 173146461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).