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

C9H18F2N2O4S — CID 107485464

IUPAC3-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide
SMILESNC(=O)CCS(=O)(=O)CCN(CCO)CC(F)F
InChIInChI=1S/C9H18F2N2O4S/c10-8(11)7-13(2-4-14)3-6-18(16,17)5-1-9(12)15/h8,14H,1-7H2,(H2,12,15)
InChIKeyDYTSZZATNYIQLY-UHFFFAOYSA-N
MW288.32 g/mol
LogP-1.16
Rot. Bonds10

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

3-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide (PubChem CID 107485464) has the molecular formula C9H18F2N2O4S and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide
PubChem CID107485464
Molecular FormulaC9H18F2N2O4S
Molecular Weight288.32 g/mol
Exact Mass288.10
IUPAC Name3-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide
SMILESNC(=O)CCS(=O)(=O)CCN(CCO)CC(F)F
InChIInChI=1S/C9H18F2N2O4S/c10-8(11)7-13(2-4-14)3-6-18(16,17)5-1-9(12)15/h8,14H,1-7H2,(H2,12,15)
InChIKeyDYTSZZATNYIQLY-UHFFFAOYSA-N
XLogP-1.16
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide (CID 107485464) is 3-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide is NC(=O)CCS(=O)(=O)CCN(CCO)CC(F)F.
What is the InChIKey of 3-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide?
The InChIKey is DYTSZZATNYIQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O4S/c10-8(11)7-13(2-4-14)3-6-18(16,17)5-1-9(12)15/h8,14H,1-7H2,(H2,12,15).
What are the key properties of 3-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide?
3-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide has a molecular weight of 288.32 g/mol, XLogP of -1.16, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide is sourced from PubChem (CID 107485464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).