(4S,5S)-4-(fluoromethyl)-1-thia-9-azaspiro[4.6]undecane

C10H18FNS — CID 97112375

IUPAC(4S,5S)-4-(fluoromethyl)-1-thia-9-azaspiro[4.6]undecane
SMILESFC[C@@H]1CCS[C@]12CCCNCC2
InChIInChI=1S/C10H18FNS/c11-8-9-2-7-13-10(9)3-1-5-12-6-4-10/h9,12H,1-8H2/t9-,10-/m0/s1
InChIKeyCPYQCZYNUPDUKQ-UWVGGRQHSA-N
MW203.33 g/mol
LogP2.22
Rot. Bonds1

About (4S,5S)-4-(fluoromethyl)-1-thia-9-azaspiro[4.6]undecane

(4S,5S)-4-(fluoromethyl)-1-thia-9-azaspiro[4.6]undecane (PubChem CID 97112375) has the molecular formula C10H18FNS and a molecular weight of 203.33 g/mol. Its IUPAC name is (4S,5S)-4-(fluoromethyl)-1-thia-9-azaspiro[4.6]undecane.

Molecular Properties

Compound Name(4S,5S)-4-(fluoromethyl)-1-thia-9-azaspiro[4.6]undecane
PubChem CID97112375
Molecular FormulaC10H18FNS
Molecular Weight203.33 g/mol
Exact Mass203.11
IUPAC Name(4S,5S)-4-(fluoromethyl)-1-thia-9-azaspiro[4.6]undecane
SMILESFC[C@@H]1CCS[C@]12CCCNCC2
InChIInChI=1S/C10H18FNS/c11-8-9-2-7-13-10(9)3-1-5-12-6-4-10/h9,12H,1-8H2/t9-,10-/m0/s1
InChIKeyCPYQCZYNUPDUKQ-UWVGGRQHSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(fluoromethyl)-1-thia-9-azaspiro[4.6]undecane?
The IUPAC name of (4S,5S)-4-(fluoromethyl)-1-thia-9-azaspiro[4.6]undecane (CID 97112375) is (4S,5S)-4-(fluoromethyl)-1-thia-9-azaspiro[4.6]undecane.
What is the SMILES notation for (4S,5S)-4-(fluoromethyl)-1-thia-9-azaspiro[4.6]undecane?
The canonical SMILES for (4S,5S)-4-(fluoromethyl)-1-thia-9-azaspiro[4.6]undecane is FC[C@@H]1CCS[C@]12CCCNCC2.
What is the InChIKey of (4S,5S)-4-(fluoromethyl)-1-thia-9-azaspiro[4.6]undecane?
The InChIKey is CPYQCZYNUPDUKQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18FNS/c11-8-9-2-7-13-10(9)3-1-5-12-6-4-10/h9,12H,1-8H2/t9-,10-/m0/s1.
What are the key properties of (4S,5S)-4-(fluoromethyl)-1-thia-9-azaspiro[4.6]undecane?
(4S,5S)-4-(fluoromethyl)-1-thia-9-azaspiro[4.6]undecane has a molecular weight of 203.33 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(fluoromethyl)-1-thia-9-azaspiro[4.6]undecane is sourced from PubChem (CID 97112375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).