3-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

C5H11F3N2O2S — CID 60910340

IUPAC3-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c6-5(7,8)4-10-13(11,12)3-1-2-9/h10H,1-4,9H2
InChIKeyNFWQFJLMPABXIT-UHFFFAOYSA-N
MW220.22 g/mol
LogP-0.18
Rot. Bonds5

About 3-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

3-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 60910340) has the molecular formula C5H11F3N2O2S and a molecular weight of 220.22 g/mol. Its IUPAC name is 3-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID60910340
Molecular FormulaC5H11F3N2O2S
Molecular Weight220.22 g/mol
Exact Mass220.05
IUPAC Name3-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c6-5(7,8)4-10-13(11,12)3-1-2-9/h10H,1-4,9H2
InChIKeyNFWQFJLMPABXIT-UHFFFAOYSA-N
XLogP-0.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(Perfluoropropyl)sulfonyl]amino]propanesulfonic acid
CID 139595508
3-[(Perfluorobutanesulfonyl)amino]propane-1-sulfonic acid
CID 139596628
3,3,3-trifluoro-N-methylpropane-1-sulfonamide
CID 88571719
3-Aminopropane-1-sulfonamide
CID 13343446
2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide
CID 119030899
N-(3-aminopropyl)-1,1-difluoromethanesulfonamide hydrochloride
CID 137935095
Perfluoromethane sulfonamido propyl sulfonate
CID 138395143
N-sulfo propyl perfluoroethane sulfonamide
CID 163323932
N-(3-aminopropyl)-1,1,1-trifluoromethanesulfonamide
CID 10998172
4-Trifluoromethanesulfonamido-1-butylamine
CID 11276038
N-ethyl-2,2,2-trifluoroethanesulfonamide
CID 20718448
N-(2,2-dimethylpropyl)-2,2,2-trifluoroethanesulfonamide
CID 21027126

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 60910340) is 3-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is NCCCS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is NFWQFJLMPABXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O2S/c6-5(7,8)4-10-13(11,12)3-1-2-9/h10H,1-4,9H2.
What are the key properties of 3-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
3-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 220.22 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 60910340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).