N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide

C7H14N4O2S — CID 47387233

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1nncn1C
InChIInChI=1S/C7H14N4O2S/c1-3-4-14(12,13)9-5-7-10-8-6-11(7)2/h6,9H,3-5H2,1-2H3
InChIKeySKHMVOXGDMVWAC-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.36
Rot. Bonds5

About N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide (PubChem CID 47387233) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide
PubChem CID47387233
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1nncn1C
InChIInChI=1S/C7H14N4O2S/c1-3-4-14(12,13)9-5-7-10-8-6-11(7)2/h6,9H,3-5H2,1-2H3
InChIKeySKHMVOXGDMVWAC-UHFFFAOYSA-N
XLogP-0.36
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide (CID 47387233) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1nncn1C.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide?
The InChIKey is SKHMVOXGDMVWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-3-4-14(12,13)9-5-7-10-8-6-11(7)2/h6,9H,3-5H2,1-2H3.
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 47387233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).