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

C13H24N4O2S — CID 125435592

IUPAC1-cyclopentyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]methanesulfonamide
SMILESCC(C)[C@@H](NS(=O)(=O)CC1CCCC1)c1ncnn1C
InChIInChI=1S/C13H24N4O2S/c1-10(2)12(13-14-9-15-17(13)3)16-20(18,19)8-11-6-4-5-7-11/h9-12,16H,4-8H2,1-3H3/t12-/m1/s1
InChIKeyBAHYSGAFJQDPTC-GFCCVEGCSA-N
MW300.43 g/mol
LogP1.62
Rot. Bonds6

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

1-cyclopentyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]methanesulfonamide (PubChem CID 125435592) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]methanesulfonamide
PubChem CID125435592
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-cyclopentyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]methanesulfonamide
SMILESCC(C)[C@@H](NS(=O)(=O)CC1CCCC1)c1ncnn1C
InChIInChI=1S/C13H24N4O2S/c1-10(2)12(13-14-9-15-17(13)3)16-20(18,19)8-11-6-4-5-7-11/h9-12,16H,4-8H2,1-3H3/t12-/m1/s1
InChIKeyBAHYSGAFJQDPTC-GFCCVEGCSA-N
XLogP1.62
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]methanesulfonamide?
The IUPAC name of 1-cyclopentyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]methanesulfonamide (CID 125435592) is 1-cyclopentyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]methanesulfonamide?
The canonical SMILES for 1-cyclopentyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]methanesulfonamide is CC(C)[C@@H](NS(=O)(=O)CC1CCCC1)c1ncnn1C.
What is the InChIKey of 1-cyclopentyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]methanesulfonamide?
The InChIKey is BAHYSGAFJQDPTC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-10(2)12(13-14-9-15-17(13)3)16-20(18,19)8-11-6-4-5-7-11/h9-12,16H,4-8H2,1-3H3/t12-/m1/s1.
What are the key properties of 1-cyclopentyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]methanesulfonamide?
1-cyclopentyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]methanesulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]methanesulfonamide is sourced from PubChem (CID 125435592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).