2-(methylamino)-N-(3,3,3-trifluoropropyl)ethanesulfonamide

C6H13F3N2O2S — CID 63227903

IUPAC2-(methylamino)-N-(3,3,3-trifluoropropyl)ethanesulfonamide
SMILESCNCCS(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-10-4-5-14(12,13)11-3-2-6(7,8)9/h10-11H,2-5H2,1H3
InChIKeyVDGUQZXFWSVUGJ-UHFFFAOYSA-N
MW234.24 g/mol
LogP0.08
Rot. Bonds6

About 2-(methylamino)-N-(3,3,3-trifluoropropyl)ethanesulfonamide

2-(methylamino)-N-(3,3,3-trifluoropropyl)ethanesulfonamide (PubChem CID 63227903) has the molecular formula C6H13F3N2O2S and a molecular weight of 234.24 g/mol. Its IUPAC name is 2-(methylamino)-N-(3,3,3-trifluoropropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(3,3,3-trifluoropropyl)ethanesulfonamide
PubChem CID63227903
Molecular FormulaC6H13F3N2O2S
Molecular Weight234.24 g/mol
Exact Mass234.06
IUPAC Name2-(methylamino)-N-(3,3,3-trifluoropropyl)ethanesulfonamide
SMILESCNCCS(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-10-4-5-14(12,13)11-3-2-6(7,8)9/h10-11H,2-5H2,1H3
InChIKeyVDGUQZXFWSVUGJ-UHFFFAOYSA-N
XLogP0.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106135566
2-(methylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide
CID 63957677
N-methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
CID 86696867
3-chloro-N-(4,4,4-trifluorobutyl)propane-1-sulfonamide
CID 115521751
N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059418
N-(3-ethoxypropyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 99802931
N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106125756
1-(3,5-dichlorophenyl)-N-(3,3,3-trifluoropropyl)methanesulfonamide
CID 75384497
4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
CID 82903855
CID 87316940
CID 87316940
2-(methylamino)ethanesulfonyl fluoride;hydrochloride
CID 155821097
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)ethanesulfonamide
CID 62850818

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The IUPAC name of 2-(methylamino)-N-(3,3,3-trifluoropropyl)ethanesulfonamide (CID 63227903) is 2-(methylamino)-N-(3,3,3-trifluoropropyl)ethanesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The canonical SMILES for 2-(methylamino)-N-(3,3,3-trifluoropropyl)ethanesulfonamide is CNCCS(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of 2-(methylamino)-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The InChIKey is VDGUQZXFWSVUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O2S/c1-10-4-5-14(12,13)11-3-2-6(7,8)9/h10-11H,2-5H2,1H3.
What are the key properties of 2-(methylamino)-N-(3,3,3-trifluoropropyl)ethanesulfonamide?
2-(methylamino)-N-(3,3,3-trifluoropropyl)ethanesulfonamide has a molecular weight of 234.24 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(3,3,3-trifluoropropyl)ethanesulfonamide is sourced from PubChem (CID 63227903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).