N-[2-methyl-3-(2H-triazol-4-ylmethyl)pentan-2-yl]-N-pentan-2-ylmethanesulfonamide

C15H30N4O2S — CID 123583480

IUPACN-[2-methyl-3-(2H-triazol-4-ylmethyl)pentan-2-yl]-N-pentan-2-ylmethanesulfonamide
SMILESCCCC(C)N(C(C)(C)C(CC)Cc1cn[nH]n1)S(C)(=O)=O
InChIInChI=1S/C15H30N4O2S/c1-7-9-12(3)19(22(6,20)21)15(4,5)13(8-2)10-14-11-16-18-17-14/h11-13H,7-10H2,1-6H3,(H,16,17,18)
InChIKeyIJUMUAHFNBQNRA-UHFFFAOYSA-N
MW330.50 g/mol
LogP2.60
Rot. Bonds9

About N-[2-methyl-3-(2H-triazol-4-ylmethyl)pentan-2-yl]-N-pentan-2-ylmethanesulfonamide

N-[2-methyl-3-(2H-triazol-4-ylmethyl)pentan-2-yl]-N-pentan-2-ylmethanesulfonamide (PubChem CID 123583480) has the molecular formula C15H30N4O2S and a molecular weight of 330.50 g/mol. Its IUPAC name is N-[2-methyl-3-(2H-triazol-4-ylmethyl)pentan-2-yl]-N-pentan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-3-(2H-triazol-4-ylmethyl)pentan-2-yl]-N-pentan-2-ylmethanesulfonamide
PubChem CID123583480
Molecular FormulaC15H30N4O2S
Molecular Weight330.50 g/mol
Exact Mass330.21
IUPAC NameN-[2-methyl-3-(2H-triazol-4-ylmethyl)pentan-2-yl]-N-pentan-2-ylmethanesulfonamide
SMILESCCCC(C)N(C(C)(C)C(CC)Cc1cn[nH]n1)S(C)(=O)=O
InChIInChI=1S/C15H30N4O2S/c1-7-9-12(3)19(22(6,20)21)15(4,5)13(8-2)10-14-11-16-18-17-14/h11-13H,7-10H2,1-6H3,(H,16,17,18)
InChIKeyIJUMUAHFNBQNRA-UHFFFAOYSA-N
XLogP2.60
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(1-methylcyclopropyl)sulfonyl-3-(2H-triazol-4-yl)piperidine
CID 164629371
N-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide
CID 118241694
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
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N-[2-methyl-4-[3-(3-methylpentan-2-yl)triazol-4-yl]hexan-2-yl]-N-(4-methyloctan-4-yl)methanesulfonamide
CID 123533664
N-[2-methyl-4-(2H-triazol-4-yl)butan-2-yl]methanesulfonamide
CID 123568417
N-methyl-N-[2-methyl-4-(2H-triazol-4-yl)butan-2-yl]methanesulfonamide
CID 123591257
2-(1-methylsulfonylpiperidin-3-yl)-1-(2H-triazol-4-yl)ethanamine
CID 80494618
N-[2-(1-methylsulfonylpiperidin-3-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine
CID 80495763
N-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(2H-triazol-4-yl)ethanamine
CID 80495772
N-ethyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(2H-triazol-4-yl)ethanamine
CID 80496862
[2-(1-methylsulfonylpiperidin-3-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine
CID 113696392

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(2H-triazol-4-ylmethyl)pentan-2-yl]-N-pentan-2-ylmethanesulfonamide?
The IUPAC name of N-[2-methyl-3-(2H-triazol-4-ylmethyl)pentan-2-yl]-N-pentan-2-ylmethanesulfonamide (CID 123583480) is N-[2-methyl-3-(2H-triazol-4-ylmethyl)pentan-2-yl]-N-pentan-2-ylmethanesulfonamide.
What is the SMILES notation for N-[2-methyl-3-(2H-triazol-4-ylmethyl)pentan-2-yl]-N-pentan-2-ylmethanesulfonamide?
The canonical SMILES for N-[2-methyl-3-(2H-triazol-4-ylmethyl)pentan-2-yl]-N-pentan-2-ylmethanesulfonamide is CCCC(C)N(C(C)(C)C(CC)Cc1cn[nH]n1)S(C)(=O)=O.
What is the InChIKey of N-[2-methyl-3-(2H-triazol-4-ylmethyl)pentan-2-yl]-N-pentan-2-ylmethanesulfonamide?
The InChIKey is IJUMUAHFNBQNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2S/c1-7-9-12(3)19(22(6,20)21)15(4,5)13(8-2)10-14-11-16-18-17-14/h11-13H,7-10H2,1-6H3,(H,16,17,18).
What are the key properties of N-[2-methyl-3-(2H-triazol-4-ylmethyl)pentan-2-yl]-N-pentan-2-ylmethanesulfonamide?
N-[2-methyl-3-(2H-triazol-4-ylmethyl)pentan-2-yl]-N-pentan-2-ylmethanesulfonamide has a molecular weight of 330.50 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(2H-triazol-4-ylmethyl)pentan-2-yl]-N-pentan-2-ylmethanesulfonamide is sourced from PubChem (CID 123583480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).