2,3,3-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide

C12H24N4O2S — CID 136557765

IUPAC2,3,3-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide
SMILESCC(NS(=O)(=O)CC(C)C(C)(C)C)c1nncn1C
InChIInChI=1S/C12H24N4O2S/c1-9(12(3,4)5)7-19(17,18)15-10(2)11-14-13-8-16(11)6/h8-10,15H,7H2,1-6H3
InChIKeyBMYFLHTYVUFCIN-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.48
Rot. Bonds5

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

2,3,3-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide (PubChem CID 136557765) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name2,3,3-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide
PubChem CID136557765
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC Name2,3,3-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide
SMILESCC(NS(=O)(=O)CC(C)C(C)(C)C)c1nncn1C
InChIInChI=1S/C12H24N4O2S/c1-9(12(3,4)5)7-19(17,18)15-10(2)11-14-13-8-16(11)6/h8-10,15H,7H2,1-6H3
InChIKeyBMYFLHTYVUFCIN-UHFFFAOYSA-N
XLogP1.48
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,3,3-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide with MolForge

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Related Compounds

1-cyclopentyl-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]methanesulfonamide
CID 125435593
N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 164639266
N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
CID 164639361
N-[(1R)-1-(4-ethyl-5-methoxy-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide
CID 57698859
N-[(1R)-1-(4-ethyl-5-methoxy-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 57699165
N-[(1R)-1-(4-ethyl-5-methoxy-1,2,4-triazol-3-yl)ethyl]propane-2-sulfonamide
CID 57699380
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-2-sulfonamide
CID 47371821
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]butane-1-sulfonamide
CID 47372370
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-2-sulfonamide
CID 47372428
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
CID 47372429
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide
CID 47387233
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 47387359

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of 2,3,3-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide (CID 136557765) is 2,3,3-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for 2,3,3-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for 2,3,3-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide is CC(NS(=O)(=O)CC(C)C(C)(C)C)c1nncn1C.
What is the InChIKey of 2,3,3-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide?
The InChIKey is BMYFLHTYVUFCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-9(12(3,4)5)7-19(17,18)15-10(2)11-14-13-8-16(11)6/h8-10,15H,7H2,1-6H3.
What are the key properties of 2,3,3-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide?
2,3,3-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 136557765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).