N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpentane-1-sulfonamide

C11H22N4O2S — CID 75484912

IUPACN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N(C)Cc1nnc(C)n1C
InChIInChI=1S/C11H22N4O2S/c1-5-6-7-8-18(16,17)14(3)9-11-13-12-10(2)15(11)4/h5-9H2,1-4H3
InChIKeyAZCDTCLVVVFTSJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.08
Rot. Bonds7

About N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpentane-1-sulfonamide

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpentane-1-sulfonamide (PubChem CID 75484912) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpentane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpentane-1-sulfonamide
PubChem CID75484912
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N(C)Cc1nnc(C)n1C
InChIInChI=1S/C11H22N4O2S/c1-5-6-7-8-18(16,17)14(3)9-11-13-12-10(2)15(11)4/h5-9H2,1-4H3
InChIKeyAZCDTCLVVVFTSJ-UHFFFAOYSA-N
XLogP1.08
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 53613481
3-[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propane-1-sulfonamide
CID 72141808
N-[(8-cyclopropylsulfonyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-3-yl)methyl]-N-methylpropan-2-amine
CID 97405574
N-[(7-ethylsulfonyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)methyl]-N-methylpropan-2-amine
CID 97416014
N-methyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide
CID 129617380
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
7-propan-2-ylsulfonyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64585368
7-propylsulfonyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64585558
7-butylsulfonyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 91956798
N-[[4-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-1,2,4-triazol-3-yl]methyl]ethanesulfonamide
CID 167785768
N-[(1R)-1-(4-ethyl-5-methoxy-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide
CID 57698859

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpentane-1-sulfonamide?
The IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpentane-1-sulfonamide (CID 75484912) is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpentane-1-sulfonamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpentane-1-sulfonamide?
The canonical SMILES for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpentane-1-sulfonamide is CCCCCS(=O)(=O)N(C)Cc1nnc(C)n1C.
What is the InChIKey of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpentane-1-sulfonamide?
The InChIKey is AZCDTCLVVVFTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-5-6-7-8-18(16,17)14(3)9-11-13-12-10(2)15(11)4/h5-9H2,1-4H3.
What are the key properties of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpentane-1-sulfonamide?
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpentane-1-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpentane-1-sulfonamide is sourced from PubChem (CID 75484912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).