1,1-dioxo-N-(1,3-thiazol-2-yl)thiolane-3-sulfonamide

C7H10N2O4S3 — CID 16958018

IUPAC1,1-dioxo-N-(1,3-thiazol-2-yl)thiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2nccs2)C1
InChIInChI=1S/C7H10N2O4S3/c10-15(11)4-1-6(5-15)16(12,13)9-7-8-2-3-14-7/h2-3,6H,1,4-5H2,(H,8,9)
InChIKeyFOSOXLVRLSXDNS-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.07
Rot. Bonds3

About 1,1-dioxo-N-(1,3-thiazol-2-yl)thiolane-3-sulfonamide

1,1-dioxo-N-(1,3-thiazol-2-yl)thiolane-3-sulfonamide (PubChem CID 16958018) has the molecular formula C7H10N2O4S3 and a molecular weight of 282.37 g/mol. Its IUPAC name is 1,1-dioxo-N-(1,3-thiazol-2-yl)thiolane-3-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-N-(1,3-thiazol-2-yl)thiolane-3-sulfonamide
PubChem CID16958018
Molecular FormulaC7H10N2O4S3
Molecular Weight282.37 g/mol
Exact Mass281.98
IUPAC Name1,1-dioxo-N-(1,3-thiazol-2-yl)thiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2nccs2)C1
InChIInChI=1S/C7H10N2O4S3/c10-15(11)4-1-6(5-15)16(12,13)9-7-8-2-3-14-7/h2-3,6H,1,4-5H2,(H,8,9)
InChIKeyFOSOXLVRLSXDNS-UHFFFAOYSA-N
XLogP0.07
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(1,3-thiazol-2-yl)thiolane-3-sulfonamide?
The IUPAC name of 1,1-dioxo-N-(1,3-thiazol-2-yl)thiolane-3-sulfonamide (CID 16958018) is 1,1-dioxo-N-(1,3-thiazol-2-yl)thiolane-3-sulfonamide.
What is the SMILES notation for 1,1-dioxo-N-(1,3-thiazol-2-yl)thiolane-3-sulfonamide?
The canonical SMILES for 1,1-dioxo-N-(1,3-thiazol-2-yl)thiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)Nc2nccs2)C1.
What is the InChIKey of 1,1-dioxo-N-(1,3-thiazol-2-yl)thiolane-3-sulfonamide?
The InChIKey is FOSOXLVRLSXDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S3/c10-15(11)4-1-6(5-15)16(12,13)9-7-8-2-3-14-7/h2-3,6H,1,4-5H2,(H,8,9).
What are the key properties of 1,1-dioxo-N-(1,3-thiazol-2-yl)thiolane-3-sulfonamide?
1,1-dioxo-N-(1,3-thiazol-2-yl)thiolane-3-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(1,3-thiazol-2-yl)thiolane-3-sulfonamide is sourced from PubChem (CID 16958018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).