N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]but-3-ene-1-sulfonamide

C12H20N4O2S — CID 91661972

IUPACN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NCc1nnc(C2CCC2)n1C
InChIInChI=1S/C12H20N4O2S/c1-3-4-8-19(17,18)13-9-11-14-15-12(16(11)2)10-6-5-7-10/h3,10,13H,1,4-9H2,2H3
InChIKeyPLNAZZLUYGERQK-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.08
Rot. Bonds7

About N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]but-3-ene-1-sulfonamide

N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]but-3-ene-1-sulfonamide (PubChem CID 91661972) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]but-3-ene-1-sulfonamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]but-3-ene-1-sulfonamide
PubChem CID91661972
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NCc1nnc(C2CCC2)n1C
InChIInChI=1S/C12H20N4O2S/c1-3-4-8-19(17,18)13-9-11-14-15-12(16(11)2)10-6-5-7-10/h3,10,13H,1,4-9H2,2H3
InChIKeyPLNAZZLUYGERQK-UHFFFAOYSA-N
XLogP1.08
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]but-3-ene-1-sulfonamide?
The IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]but-3-ene-1-sulfonamide (CID 91661972) is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]but-3-ene-1-sulfonamide.
What is the SMILES notation for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]but-3-ene-1-sulfonamide?
The canonical SMILES for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]but-3-ene-1-sulfonamide is C=CCCS(=O)(=O)NCc1nnc(C2CCC2)n1C.
What is the InChIKey of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]but-3-ene-1-sulfonamide?
The InChIKey is PLNAZZLUYGERQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-4-8-19(17,18)13-9-11-14-15-12(16(11)2)10-6-5-7-10/h3,10,13H,1,4-9H2,2H3.
What are the key properties of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]but-3-ene-1-sulfonamide?
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]but-3-ene-1-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]but-3-ene-1-sulfonamide is sourced from PubChem (CID 91661972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).