1-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide

C11H20N4O2S — CID 131895495

IUPAC1-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
SMILESCn1ncnc1CCNS(=O)(=O)CC1CCCC1
InChIInChI=1S/C11H20N4O2S/c1-15-11(12-9-13-15)6-7-14-18(16,17)8-10-4-2-3-5-10/h9-10,14H,2-8H2,1H3
InChIKeyNRQZFSSTUJSMLV-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.47
Rot. Bonds6

About 1-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide

1-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide (PubChem CID 131895495) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
PubChem CID131895495
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
SMILESCn1ncnc1CCNS(=O)(=O)CC1CCCC1
InChIInChI=1S/C11H20N4O2S/c1-15-11(12-9-13-15)6-7-14-18(16,17)8-10-4-2-3-5-10/h9-10,14H,2-8H2,1H3
InChIKeyNRQZFSSTUJSMLV-UHFFFAOYSA-N
XLogP0.47
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide (CID 131895495) is 1-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide is Cn1ncnc1CCNS(=O)(=O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide?
The InChIKey is NRQZFSSTUJSMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-15-11(12-9-13-15)6-7-14-18(16,17)8-10-4-2-3-5-10/h9-10,14H,2-8H2,1H3.
What are the key properties of 1-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide?
1-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 131895495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).