(3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride

C5H11ClF2N2OS — CID 172885136

IUPAC(3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride
SMILESCl.[H]N=S(C)(=O)N1CCC(F)(F)C1
InChIInChI=1S/C5H10F2N2OS.ClH/c1-11(8,10)9-3-2-5(6,7)4-9;/h8H,2-4H2,1H3;1H
InChIKeyYJQPGPMPLHIEOY-UHFFFAOYSA-N
MW220.67 g/mol
LogP1.34
Rot. Bonds1

About (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride

(3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride (PubChem CID 172885136) has the molecular formula C5H11ClF2N2OS and a molecular weight of 220.67 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride
PubChem CID172885136
Molecular FormulaC5H11ClF2N2OS
Molecular Weight220.67 g/mol
Exact Mass220.02
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride
SMILESCl.[H]N=S(C)(=O)N1CCC(F)(F)C1
InChIInChI=1S/C5H10F2N2OS.ClH/c1-11(8,10)9-3-2-5(6,7)4-9;/h8H,2-4H2,1H3;1H
InChIKeyYJQPGPMPLHIEOY-UHFFFAOYSA-N
XLogP1.34
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.67
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride (CID 172885136) is (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride is Cl.[H]N=S(C)(=O)N1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride?
The InChIKey is YJQPGPMPLHIEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2OS.ClH/c1-11(8,10)9-3-2-5(6,7)4-9;/h8H,2-4H2,1H3;1H.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride?
(3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride has a molecular weight of 220.67 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride is sourced from PubChem (CID 172885136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).