N-[5-[1-(4,4-dimethylpentyl)triazol-4-yl]-4-methylpentyl]-N-methylmethanesulfonamide

C17H34N4O2S — CID 146544924

IUPACN-[5-[1-(4,4-dimethylpentyl)triazol-4-yl]-4-methylpentyl]-N-methylmethanesulfonamide
SMILESCC(CCCN(C)S(C)(=O)=O)Cc1cn(CCCC(C)(C)C)nn1
InChIInChI=1S/C17H34N4O2S/c1-15(9-7-11-20(5)24(6,22)23)13-16-14-21(19-18-16)12-8-10-17(2,3)4/h14-15H,7-13H2,1-6H3
InChIKeyAWHSFNCVCJYSND-UHFFFAOYSA-N
MW358.55 g/mol
LogP2.95
Rot. Bonds10

About N-[5-[1-(4,4-dimethylpentyl)triazol-4-yl]-4-methylpentyl]-N-methylmethanesulfonamide

N-[5-[1-(4,4-dimethylpentyl)triazol-4-yl]-4-methylpentyl]-N-methylmethanesulfonamide (PubChem CID 146544924) has the molecular formula C17H34N4O2S and a molecular weight of 358.55 g/mol. Its IUPAC name is N-[5-[1-(4,4-dimethylpentyl)triazol-4-yl]-4-methylpentyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[5-[1-(4,4-dimethylpentyl)triazol-4-yl]-4-methylpentyl]-N-methylmethanesulfonamide
PubChem CID146544924
Molecular FormulaC17H34N4O2S
Molecular Weight358.55 g/mol
Exact Mass358.24
IUPAC NameN-[5-[1-(4,4-dimethylpentyl)triazol-4-yl]-4-methylpentyl]-N-methylmethanesulfonamide
SMILESCC(CCCN(C)S(C)(=O)=O)Cc1cn(CCCC(C)(C)C)nn1
InChIInChI=1S/C17H34N4O2S/c1-15(9-7-11-20(5)24(6,22)23)13-16-14-21(19-18-16)12-8-10-17(2,3)4/h14-15H,7-13H2,1-6H3
InChIKeyAWHSFNCVCJYSND-UHFFFAOYSA-N
XLogP2.95
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[(4,4-Difluorocyclohexyl)methyl]triazol-4-yl]propane-1-sulfonamide
CID 167819031
4-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-1-(methylsulfonyl)piperidine
CID 31054267
4-(5-Ethyl-2,4,4-trimethyloctan-2-yl)-1-(3-methylbutyl)triazole
CID 68231404
4-(5-Ethyl-2,4,4-trimethyloctan-2-yl)-1-propyltriazole
CID 68231846
N-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide
CID 118241694
N-[3,3-dimethyl-5-(1-methyltriazol-4-yl)-2-propan-2-yloxyheptyl]-N-methylmethanesulfonamide
CID 118241748
N-methyl-N-[2-methyl-4-[(3-methyltriazol-4-yl)methyl]hexan-2-yl]methanesulfonamide
CID 118241867
N-methyl-N-[3-methyl-5-(3-propan-2-yltriazol-4-yl)octan-3-yl]methanesulfonamide
CID 118241958
4-(2,4,4-Trimethylhexan-2-yl)-1-(2,4,4-trimethylpentan-2-yl)triazole
CID 123207962
3-Ethyl-4-(2,2,4,4-tetramethylpentyl)-1-(2,4,4-trimethylpentan-2-yl)triazol-1-ium
CID 123246311
1,4-Di(heptan-4-yl)triazole
CID 123340574
N-[2-methyl-4-[3-(3-methylpentan-2-yl)triazol-4-yl]hexan-2-yl]-N-(4-methyloctan-4-yl)methanesulfonamide
CID 123533664

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(4,4-dimethylpentyl)triazol-4-yl]-4-methylpentyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[5-[1-(4,4-dimethylpentyl)triazol-4-yl]-4-methylpentyl]-N-methylmethanesulfonamide (CID 146544924) is N-[5-[1-(4,4-dimethylpentyl)triazol-4-yl]-4-methylpentyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[5-[1-(4,4-dimethylpentyl)triazol-4-yl]-4-methylpentyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[5-[1-(4,4-dimethylpentyl)triazol-4-yl]-4-methylpentyl]-N-methylmethanesulfonamide is CC(CCCN(C)S(C)(=O)=O)Cc1cn(CCCC(C)(C)C)nn1.
What is the InChIKey of N-[5-[1-(4,4-dimethylpentyl)triazol-4-yl]-4-methylpentyl]-N-methylmethanesulfonamide?
The InChIKey is AWHSFNCVCJYSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2S/c1-15(9-7-11-20(5)24(6,22)23)13-16-14-21(19-18-16)12-8-10-17(2,3)4/h14-15H,7-13H2,1-6H3.
What are the key properties of N-[5-[1-(4,4-dimethylpentyl)triazol-4-yl]-4-methylpentyl]-N-methylmethanesulfonamide?
N-[5-[1-(4,4-dimethylpentyl)triazol-4-yl]-4-methylpentyl]-N-methylmethanesulfonamide has a molecular weight of 358.55 g/mol, XLogP of 2.95, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4,4-dimethylpentyl)triazol-4-yl]-4-methylpentyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 146544924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).