[(2R)-1-sulfanylidene-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium

C5H10F3N2S+ — CID 140645051

IUPAC[(2R)-1-sulfanylidene-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium
SMILESC[C@@H]([NH3+])C(=S)NCC(F)(F)F
InChIInChI=1S/C5H9F3N2S/c1-3(9)4(11)10-2-5(6,7)8/h3H,2,9H2,1H3,(H,10,11)/p+1/t3-/m1/s1
InChIKeyUAEVZMCDAJZTGU-GSVOUGTGSA-O
MW187.21 g/mol
LogP0.10
Rot. Bonds2

About [(2R)-1-sulfanylidene-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium

[(2R)-1-sulfanylidene-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium (PubChem CID 140645051) has the molecular formula C5H10F3N2S+ and a molecular weight of 187.21 g/mol. Its IUPAC name is [(2R)-1-sulfanylidene-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-sulfanylidene-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium
PubChem CID140645051
Molecular FormulaC5H10F3N2S+
Molecular Weight187.21 g/mol
Exact Mass187.05
IUPAC Name[(2R)-1-sulfanylidene-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium
SMILESC[C@@H]([NH3+])C(=S)NCC(F)(F)F
InChIInChI=1S/C5H9F3N2S/c1-3(9)4(11)10-2-5(6,7)8/h3H,2,9H2,1H3,(H,10,11)/p+1/t3-/m1/s1
InChIKeyUAEVZMCDAJZTGU-GSVOUGTGSA-O
XLogP0.10
TPSA39.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-propylethanethioamide
CID 71777782
(2R)-2-amino-N-(2,2,2-trifluoroethyl)propanethioamide
CID 86722617
2,2-difluoro-N-propan-2-ylethanethioamide
CID 88957194
N-(1,1,1-trifluoropropan-2-yl)ethanethioamide
CID 89175027
N-(2,2,2-trifluoroethyl)propanethioamide
CID 130290984
N-(3,3-difluorocyclobutyl)ethanethioamide
CID 142576520
2,2-difluoro-N-propylethanethioamide
CID 143917778
N-(3,3,3-trifluoropropyl)propanethioamide
CID 175314979
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]ethanethioamide
CID 61604430
2-[Ethyl(2,2,2-trifluoroethyl)amino]propanethioamide
CID 61690935
2-[Methyl(2,2,2-trifluoroethyl)amino]propanethioamide
CID 61690979
2-[Propyl(2,2,2-trifluoroethyl)amino]propanethioamide
CID 61691231

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-sulfanylidene-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium?
The IUPAC name of [(2R)-1-sulfanylidene-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium (CID 140645051) is [(2R)-1-sulfanylidene-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium.
What is the SMILES notation for [(2R)-1-sulfanylidene-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium?
The canonical SMILES for [(2R)-1-sulfanylidene-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium is C[C@@H]([NH3+])C(=S)NCC(F)(F)F.
What is the InChIKey of [(2R)-1-sulfanylidene-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium?
The InChIKey is UAEVZMCDAJZTGU-GSVOUGTGSA-O. The full InChI is InChI=1S/C5H9F3N2S/c1-3(9)4(11)10-2-5(6,7)8/h3H,2,9H2,1H3,(H,10,11)/p+1/t3-/m1/s1.
What are the key properties of [(2R)-1-sulfanylidene-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium?
[(2R)-1-sulfanylidene-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium has a molecular weight of 187.21 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-sulfanylidene-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium is sourced from PubChem (CID 140645051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).