4-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

C10H19F3N2S — CID 82760327

IUPAC4-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCSC1CNCC1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H19F3N2S/c1-7(2)15(6-10(11,12)13)8-4-14-5-9(8)16-3/h7-9,14H,4-6H2,1-3H3
InChIKeyLHYXAQMCWTWCCT-UHFFFAOYSA-N
MW256.34 g/mol
LogP1.96
Rot. Bonds4

About 4-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

4-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 82760327) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID82760327
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC Name4-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCSC1CNCC1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H19F3N2S/c1-7(2)15(6-10(11,12)13)8-4-14-5-9(8)16-3/h7-9,14H,4-6H2,1-3H3
InChIKeyLHYXAQMCWTWCCT-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of 4-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 82760327) is 4-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for 4-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for 4-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is CSC1CNCC1N(CC(F)(F)F)C(C)C.
What is the InChIKey of 4-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is LHYXAQMCWTWCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-7(2)15(6-10(11,12)13)8-4-14-5-9(8)16-3/h7-9,14H,4-6H2,1-3H3.
What are the key properties of 4-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
4-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 256.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 82760327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).