1-(aminomethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine

C9H17F3N2O2S — CID 65376983

IUPAC1-(aminomethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1(CN)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-17(15,16)7-3-2-4-8(7,5-13)14-6-9(10,11)12/h7,14H,2-6,13H2,1H3
InChIKeyCQQZNMBORJDSNV-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.43
Rot. Bonds4

About 1-(aminomethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine

1-(aminomethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine (PubChem CID 65376983) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 1-(aminomethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
PubChem CID65376983
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name1-(aminomethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1(CN)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-17(15,16)7-3-2-4-8(7,5-13)14-6-9(10,11)12/h7,14H,2-6,13H2,1H3
InChIKeyCQQZNMBORJDSNV-UHFFFAOYSA-N
XLogP0.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine (CID 65376983) is 1-(aminomethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine is CS(=O)(=O)C1CCCC1(CN)NCC(F)(F)F.
What is the InChIKey of 1-(aminomethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine?
The InChIKey is CQQZNMBORJDSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-17(15,16)7-3-2-4-8(7,5-13)14-6-9(10,11)12/h7,14H,2-6,13H2,1H3.
What are the key properties of 1-(aminomethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine?
1-(aminomethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine has a molecular weight of 274.31 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine is sourced from PubChem (CID 65376983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).