3-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethylsulfonyl]propanamide

C9H17F3N2O4S — CID 107485853

IUPAC3-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethylsulfonyl]propanamide
SMILESNC(=O)CCS(=O)(=O)CCN(CCO)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O4S/c10-9(11,12)7-14(2-4-15)3-6-19(17,18)5-1-8(13)16/h15H,1-7H2,(H2,13,16)
InChIKeyDSVWPUJKJLQNFO-UHFFFAOYSA-N
MW306.31 g/mol
LogP-0.87
Rot. Bonds9

About 3-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethylsulfonyl]propanamide

3-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethylsulfonyl]propanamide (PubChem CID 107485853) has the molecular formula C9H17F3N2O4S and a molecular weight of 306.31 g/mol. Its IUPAC name is 3-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethylsulfonyl]propanamide
PubChem CID107485853
Molecular FormulaC9H17F3N2O4S
Molecular Weight306.31 g/mol
Exact Mass306.09
IUPAC Name3-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethylsulfonyl]propanamide
SMILESNC(=O)CCS(=O)(=O)CCN(CCO)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O4S/c10-9(11,12)7-14(2-4-15)3-6-19(17,18)5-1-8(13)16/h15H,1-7H2,(H2,13,16)
InChIKeyDSVWPUJKJLQNFO-UHFFFAOYSA-N
XLogP-0.87
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethylsulfonyl]propanamide (CID 107485853) is 3-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethylsulfonyl]propanamide is NC(=O)CCS(=O)(=O)CCN(CCO)CC(F)(F)F.
What is the InChIKey of 3-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethylsulfonyl]propanamide?
The InChIKey is DSVWPUJKJLQNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O4S/c10-9(11,12)7-14(2-4-15)3-6-19(17,18)5-1-8(13)16/h15H,1-7H2,(H2,13,16).
What are the key properties of 3-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethylsulfonyl]propanamide?
3-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethylsulfonyl]propanamide has a molecular weight of 306.31 g/mol, XLogP of -0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethylsulfonyl]propanamide is sourced from PubChem (CID 107485853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).