2-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]-2-sulfanylacetamide

C10H13NO4S — CID 87280459

IUPAC2-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]-2-sulfanylacetamide
SMILESCC1(c2ccc(C(S)C(N)=O)o2)OCCO1
InChIInChI=1S/C10H13NO4S/c1-10(13-4-5-14-10)7-3-2-6(15-7)8(16)9(11)12/h2-3,8,16H,4-5H2,1H3,(H2,11,12)
InChIKeyVZOXRMOPAUJRTJ-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.96
Rot. Bonds3

About 2-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]-2-sulfanylacetamide

2-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]-2-sulfanylacetamide (PubChem CID 87280459) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]-2-sulfanylacetamide.

Molecular Properties

Compound Name2-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]-2-sulfanylacetamide
PubChem CID87280459
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]-2-sulfanylacetamide
SMILESCC1(c2ccc(C(S)C(N)=O)o2)OCCO1
InChIInChI=1S/C10H13NO4S/c1-10(13-4-5-14-10)7-3-2-6(15-7)8(16)9(11)12/h2-3,8,16H,4-5H2,1H3,(H2,11,12)
InChIKeyVZOXRMOPAUJRTJ-UHFFFAOYSA-N
XLogP0.96
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]-2-sulfanylacetamide?
The IUPAC name of 2-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]-2-sulfanylacetamide (CID 87280459) is 2-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]-2-sulfanylacetamide.
What is the SMILES notation for 2-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]-2-sulfanylacetamide?
The canonical SMILES for 2-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]-2-sulfanylacetamide is CC1(c2ccc(C(S)C(N)=O)o2)OCCO1.
What is the InChIKey of 2-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]-2-sulfanylacetamide?
The InChIKey is VZOXRMOPAUJRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-10(13-4-5-14-10)7-3-2-6(15-7)8(16)9(11)12/h2-3,8,16H,4-5H2,1H3,(H2,11,12).
What are the key properties of 2-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]-2-sulfanylacetamide?
2-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]-2-sulfanylacetamide has a molecular weight of 243.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]-2-sulfanylacetamide is sourced from PubChem (CID 87280459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).