N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide

C9H15F2NO4S2 — CID 104858001

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
SMILESO=C(CSC1CCS(=O)(=O)C1)NCC(F)(F)CO
InChIInChI=1S/C9H15F2NO4S2/c10-9(11,6-13)5-12-8(14)3-17-7-1-2-18(15,16)4-7/h7,13H,1-6H2,(H,12,14)
InChIKeyIZQZVFPJOAYDSW-UHFFFAOYSA-N
MW303.35 g/mol
LogP-0.35
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide (PubChem CID 104858001) has the molecular formula C9H15F2NO4S2 and a molecular weight of 303.35 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
PubChem CID104858001
Molecular FormulaC9H15F2NO4S2
Molecular Weight303.35 g/mol
Exact Mass303.04
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
SMILESO=C(CSC1CCS(=O)(=O)C1)NCC(F)(F)CO
InChIInChI=1S/C9H15F2NO4S2/c10-9(11,6-13)5-12-8(14)3-17-7-1-2-18(15,16)4-7/h7,13H,1-6H2,(H,12,14)
InChIKeyIZQZVFPJOAYDSW-UHFFFAOYSA-N
XLogP-0.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide (CID 104858001) is N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide is O=C(CSC1CCS(=O)(=O)C1)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
The InChIKey is IZQZVFPJOAYDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO4S2/c10-9(11,6-13)5-12-8(14)3-17-7-1-2-18(15,16)4-7/h7,13H,1-6H2,(H,12,14).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide has a molecular weight of 303.35 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide is sourced from PubChem (CID 104858001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).