N-[2-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)hexan-2-yl]methanesulfonamide

C11H22N4O2S — CID 123899262

IUPACN-[2-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)hexan-2-yl]methanesulfonamide
SMILESCCC(Cc1ncn[nH]1)CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C11H22N4O2S/c1-5-9(6-10-12-8-13-14-10)7-11(2,3)15-18(4,16)17/h8-9,15H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyQYISRYMJFFYREN-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.09
Rot. Bonds7

About N-[2-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)hexan-2-yl]methanesulfonamide

N-[2-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)hexan-2-yl]methanesulfonamide (PubChem CID 123899262) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[2-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)hexan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)hexan-2-yl]methanesulfonamide
PubChem CID123899262
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-[2-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)hexan-2-yl]methanesulfonamide
SMILESCCC(Cc1ncn[nH]1)CC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C11H22N4O2S/c1-5-9(6-10-12-8-13-14-10)7-11(2,3)15-18(4,16)17/h8-9,15H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyQYISRYMJFFYREN-UHFFFAOYSA-N
XLogP1.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)hexan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)hexan-2-yl]methanesulfonamide (CID 123899262) is N-[2-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)hexan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)hexan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)hexan-2-yl]methanesulfonamide is CCC(Cc1ncn[nH]1)CC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)hexan-2-yl]methanesulfonamide?
The InChIKey is QYISRYMJFFYREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-5-9(6-10-12-8-13-14-10)7-11(2,3)15-18(4,16)17/h8-9,15H,5-7H2,1-4H3,(H,12,13,14).
What are the key properties of N-[2-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)hexan-2-yl]methanesulfonamide?
N-[2-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)hexan-2-yl]methanesulfonamide has a molecular weight of 274.39 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)hexan-2-yl]methanesulfonamide is sourced from PubChem (CID 123899262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).