2-(cyclopentylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine

C9H16F3NOS — CID 103372590

IUPAC2-(cyclopentylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(CS(=O)C1CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NOS/c10-9(11,12)7(5-13)6-15(14)8-3-1-2-4-8/h7-8H,1-6,13H2
InChIKeyXEMMOBKVQJYTGJ-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.81
Rot. Bonds4

About 2-(cyclopentylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine

2-(cyclopentylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 103372590) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(cyclopentylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID103372590
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name2-(cyclopentylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(CS(=O)C1CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NOS/c10-9(11,12)7(5-13)6-15(14)8-3-1-2-4-8/h7-8H,1-6,13H2
InChIKeyXEMMOBKVQJYTGJ-UHFFFAOYSA-N
XLogP1.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(cyclopentylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine (CID 103372590) is 2-(cyclopentylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(cyclopentylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(cyclopentylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine is NCC(CS(=O)C1CCCC1)C(F)(F)F.
What is the InChIKey of 2-(cyclopentylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is XEMMOBKVQJYTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c10-9(11,12)7(5-13)6-15(14)8-3-1-2-4-8/h7-8H,1-6,13H2.
What are the key properties of 2-(cyclopentylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine?
2-(cyclopentylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 243.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfinylmethyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103372590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).