1,1,1-trifluoro-N-[(2-propylcyclopentyl)methyl]methanesulfonamide

C10H18F3NO2S — CID 23541518

IUPAC1,1,1-trifluoro-N-[(2-propylcyclopentyl)methyl]methanesulfonamide
SMILESCCCC1CCCC1CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2S/c1-2-4-8-5-3-6-9(8)7-14-17(15,16)10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyMAEZZMXMYPOXGW-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.64
Rot. Bonds5

About 1,1,1-trifluoro-N-[(2-propylcyclopentyl)methyl]methanesulfonamide

1,1,1-trifluoro-N-[(2-propylcyclopentyl)methyl]methanesulfonamide (PubChem CID 23541518) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(2-propylcyclopentyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(2-propylcyclopentyl)methyl]methanesulfonamide
PubChem CID23541518
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC Name1,1,1-trifluoro-N-[(2-propylcyclopentyl)methyl]methanesulfonamide
SMILESCCCC1CCCC1CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2S/c1-2-4-8-5-3-6-9(8)7-14-17(15,16)10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyMAEZZMXMYPOXGW-UHFFFAOYSA-N
XLogP2.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3R,4R)-1-(aminomethyl)-3,4-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 69425095
N-[(5R)-5-[(1R,2S)-2-butyl-2,3-dimethylcyclopentyl]hexyl]-1,1,1-trifluoromethanesulfonamide
CID 70251470
N-[2-[1-(aminomethyl)-3,4-dimethylcyclopentyl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 77650617
N-(2,7-dimethyloctyl)-1,1,1-trifluoromethanesulfonamide
CID 88893591
N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 126625569
N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide
CID 139357605
N-[2-(7-bicyclo[2.2.1]heptanyl)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 146657146
N-(7-bicyclo[2.2.1]heptanylmethyl)-1,1,1-trifluoromethanesulfonamide
CID 156032044
2,3-Dimethyloctan-1-amine;trifluoromethanesulfonic acid
CID 173921600
N-[[2-(aminomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
CID 65926144
N-[[2-(aminomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058818
N-(2-Ethylhexyl)trifluoromethanesulfonamide
CID 101696867

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(2-propylcyclopentyl)methyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(2-propylcyclopentyl)methyl]methanesulfonamide (CID 23541518) is 1,1,1-trifluoro-N-[(2-propylcyclopentyl)methyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(2-propylcyclopentyl)methyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(2-propylcyclopentyl)methyl]methanesulfonamide is CCCC1CCCC1CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(2-propylcyclopentyl)methyl]methanesulfonamide?
The InChIKey is MAEZZMXMYPOXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-2-4-8-5-3-6-9(8)7-14-17(15,16)10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-[(2-propylcyclopentyl)methyl]methanesulfonamide?
1,1,1-trifluoro-N-[(2-propylcyclopentyl)methyl]methanesulfonamide has a molecular weight of 273.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(2-propylcyclopentyl)methyl]methanesulfonamide is sourced from PubChem (CID 23541518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).