2-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine

C10H18F3NO3S — CID 65045807

IUPAC2-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO3S/c1-18(15,16)9-4-2-3-8(9)14-5-6-17-7-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyVEXABHNRPNQZNE-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.12
Rot. Bonds6

About 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine

2-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine (PubChem CID 65045807) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
PubChem CID65045807
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC Name2-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO3S/c1-18(15,16)9-4-2-3-8(9)14-5-6-17-7-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyVEXABHNRPNQZNE-UHFFFAOYSA-N
XLogP1.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine?
The IUPAC name of 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine (CID 65045807) is 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine is CS(=O)(=O)C1CCCC1NCCOCC(F)(F)F.
What is the InChIKey of 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine?
The InChIKey is VEXABHNRPNQZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-18(15,16)9-4-2-3-8(9)14-5-6-17-7-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine?
2-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine has a molecular weight of 289.32 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 65045807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).