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

C9H15F2NO4S2 — CID 103770462

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
SMILESO=C(CSC1CCS(=O)(=O)C1)NCC(O)C(F)F
InChIInChI=1S/C9H15F2NO4S2/c10-9(11)7(13)3-12-8(14)4-17-6-1-2-18(15,16)5-6/h6-7,9,13H,1-5H2,(H,12,14)
InChIKeyLLDWDOKCCXWGPM-UHFFFAOYSA-N
MW303.35 g/mol
LogP-0.35
Rot. Bonds6

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

N-(3,3-difluoro-2-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide (PubChem CID 103770462) has the molecular formula C9H15F2NO4S2 and a molecular weight of 303.35 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
PubChem CID103770462
Molecular FormulaC9H15F2NO4S2
Molecular Weight303.35 g/mol
Exact Mass303.04
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
SMILESO=C(CSC1CCS(=O)(=O)C1)NCC(O)C(F)F
InChIInChI=1S/C9H15F2NO4S2/c10-9(11)7(13)3-12-8(14)4-17-6-1-2-18(15,16)5-6/h6-7,9,13H,1-5H2,(H,12,14)
InChIKeyLLDWDOKCCXWGPM-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)thiolane-3-carboxamide
CID 103723007
2-(1,1-dioxothiolan-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723120
2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103723214
3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726141
2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726145
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103730688
2-methyl-2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103755817
N-(3,3-difluoro-2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide
CID 103769878
N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylpropanamide
CID 103770024
N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide
CID 103770036
N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylacetamide
CID 103770272
N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 104858001

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide (CID 103770462) is N-(3,3-difluoro-2-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide is O=C(CSC1CCS(=O)(=O)C1)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
The InChIKey is LLDWDOKCCXWGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO4S2/c10-9(11)7(13)3-12-8(14)4-17-6-1-2-18(15,16)5-6/h6-7,9,13H,1-5H2,(H,12,14).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide?
N-(3,3-difluoro-2-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-(3,3-difluoro-2-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide is sourced from PubChem (CID 103770462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).