N-[(1S,2R)-2-(trifluoromethyl)cyclopentyl]thietan-3-amine

C9H14F3NS — CID 127004457

IUPACN-[(1S,2R)-2-(trifluoromethyl)cyclopentyl]thietan-3-amine
SMILESFC(F)(F)[C@@H]1CCC[C@@H]1NC1CSC1
InChIInChI=1S/C9H14F3NS/c10-9(11,12)7-2-1-3-8(7)13-6-4-14-5-6/h6-8,13H,1-5H2/t7-,8+/m1/s1
InChIKeyKARHIILJFOJMIE-SFYZADRCSA-N
MW225.28 g/mol
LogP2.42
Rot. Bonds2

About N-[(1S,2R)-2-(trifluoromethyl)cyclopentyl]thietan-3-amine

N-[(1S,2R)-2-(trifluoromethyl)cyclopentyl]thietan-3-amine (PubChem CID 127004457) has the molecular formula C9H14F3NS and a molecular weight of 225.28 g/mol. Its IUPAC name is N-[(1S,2R)-2-(trifluoromethyl)cyclopentyl]thietan-3-amine.

Molecular Properties

Compound NameN-[(1S,2R)-2-(trifluoromethyl)cyclopentyl]thietan-3-amine
PubChem CID127004457
Molecular FormulaC9H14F3NS
Molecular Weight225.28 g/mol
Exact Mass225.08
IUPAC NameN-[(1S,2R)-2-(trifluoromethyl)cyclopentyl]thietan-3-amine
SMILESFC(F)(F)[C@@H]1CCC[C@@H]1NC1CSC1
InChIInChI=1S/C9H14F3NS/c10-9(11,12)7-2-1-3-8(7)13-6-4-14-5-6/h6-8,13H,1-5H2/t7-,8+/m1/s1
InChIKeyKARHIILJFOJMIE-SFYZADRCSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(trifluoromethyl)cyclopentyl]thietan-3-amine?
The IUPAC name of N-[(1S,2R)-2-(trifluoromethyl)cyclopentyl]thietan-3-amine (CID 127004457) is N-[(1S,2R)-2-(trifluoromethyl)cyclopentyl]thietan-3-amine.
What is the SMILES notation for N-[(1S,2R)-2-(trifluoromethyl)cyclopentyl]thietan-3-amine?
The canonical SMILES for N-[(1S,2R)-2-(trifluoromethyl)cyclopentyl]thietan-3-amine is FC(F)(F)[C@@H]1CCC[C@@H]1NC1CSC1.
What is the InChIKey of N-[(1S,2R)-2-(trifluoromethyl)cyclopentyl]thietan-3-amine?
The InChIKey is KARHIILJFOJMIE-SFYZADRCSA-N. The full InChI is InChI=1S/C9H14F3NS/c10-9(11,12)7-2-1-3-8(7)13-6-4-14-5-6/h6-8,13H,1-5H2/t7-,8+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(trifluoromethyl)cyclopentyl]thietan-3-amine?
N-[(1S,2R)-2-(trifluoromethyl)cyclopentyl]thietan-3-amine has a molecular weight of 225.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(trifluoromethyl)cyclopentyl]thietan-3-amine is sourced from PubChem (CID 127004457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).