2-methylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentan-1-amine

C13H23F3N2O2S — CID 65044204

IUPAC2-methylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2S/c1-21(19,20)12-4-2-3-11(12)17-7-10-5-6-18(8-10)9-13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyVUWACMCKALSWKH-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.43
Rot. Bonds5

About 2-methylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentan-1-amine

2-methylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentan-1-amine (PubChem CID 65044204) has the molecular formula C13H23F3N2O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentan-1-amine
PubChem CID65044204
Molecular FormulaC13H23F3N2O2S
Molecular Weight328.40 g/mol
Exact Mass328.14
IUPAC Name2-methylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2S/c1-21(19,20)12-4-2-3-11(12)17-7-10-5-6-18(8-10)9-13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyVUWACMCKALSWKH-UHFFFAOYSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentan-1-amine?
The IUPAC name of 2-methylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentan-1-amine (CID 65044204) is 2-methylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentan-1-amine is CS(=O)(=O)C1CCCC1NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 2-methylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentan-1-amine?
The InChIKey is VUWACMCKALSWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2S/c1-21(19,20)12-4-2-3-11(12)17-7-10-5-6-18(8-10)9-13(14,15)16/h10-12,17H,2-9H2,1H3.
What are the key properties of 2-methylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentan-1-amine?
2-methylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentan-1-amine has a molecular weight of 328.40 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 65044204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).