N-[[methyl(methylidene)-λ4-sulfanyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C8H16F3NS — CID 149291097

IUPACN-[[methyl(methylidene)-λ4-sulfanyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESC=S(C)CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C8H16F3NS/c1-7(2)12(6-13(3)4)5-8(9,10)11/h7H,3,5-6H2,1-2,4H3
InChIKeyXUVYIDMXVLLIJJ-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.55
Rot. Bonds4

About N-[[methyl(methylidene)-λ4-sulfanyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[[methyl(methylidene)-λ4-sulfanyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 149291097) has the molecular formula C8H16F3NS and a molecular weight of 215.28 g/mol. Its IUPAC name is N-[[methyl(methylidene)-λ4-sulfanyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[methyl(methylidene)-λ4-sulfanyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID149291097
Molecular FormulaC8H16F3NS
Molecular Weight215.28 g/mol
Exact Mass215.10
IUPAC NameN-[[methyl(methylidene)-λ4-sulfanyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESC=S(C)CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C8H16F3NS/c1-7(2)12(6-13(3)4)5-8(9,10)11/h7H,3,5-6H2,1-2,4H3
InChIKeyXUVYIDMXVLLIJJ-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]prop-2-ene-1-thiol
CID 103073352
2,2-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanal
CID 62276597
5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 62228231
2-(bromomethyl)-N-propan-2-yl-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 65005230
2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetohydrazide
CID 63584107
3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine
CID 66010505
2-(2,2-dimethylpropyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 107473338
1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 64820228
N',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine
CID 62554657
1-methoxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-one
CID 107507220
N-pentan-2-yl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554816
2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82981726

Frequently Asked Questions

What is the IUPAC name of N-[[methyl(methylidene)-λ4-sulfanyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[[methyl(methylidene)-λ4-sulfanyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 149291097) is N-[[methyl(methylidene)-λ4-sulfanyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[[methyl(methylidene)-λ4-sulfanyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[[methyl(methylidene)-λ4-sulfanyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is C=S(C)CN(CC(F)(F)F)C(C)C.
What is the InChIKey of N-[[methyl(methylidene)-λ4-sulfanyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is XUVYIDMXVLLIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NS/c1-7(2)12(6-13(3)4)5-8(9,10)11/h7H,3,5-6H2,1-2,4H3.
What are the key properties of N-[[methyl(methylidene)-λ4-sulfanyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[[methyl(methylidene)-λ4-sulfanyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 215.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[methyl(methylidene)-λ4-sulfanyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 149291097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).