1,1-dioxo-N-(3-sulfamoylpropyl)thiane-2-carboxamide

C9H18N2O5S2 — CID 104521843

IUPAC1,1-dioxo-N-(3-sulfamoylpropyl)thiane-2-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C9H18N2O5S2/c10-18(15,16)7-3-5-11-9(12)8-4-1-2-6-17(8,13)14/h8H,1-7H2,(H,11,12)(H2,10,15,16)
InChIKeyCVFZEHJWEPZMSA-UHFFFAOYSA-N
MW298.39 g/mol
LogP-1.25
Rot. Bonds5

About 1,1-dioxo-N-(3-sulfamoylpropyl)thiane-2-carboxamide

1,1-dioxo-N-(3-sulfamoylpropyl)thiane-2-carboxamide (PubChem CID 104521843) has the molecular formula C9H18N2O5S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1,1-dioxo-N-(3-sulfamoylpropyl)thiane-2-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-(3-sulfamoylpropyl)thiane-2-carboxamide
PubChem CID104521843
Molecular FormulaC9H18N2O5S2
Molecular Weight298.39 g/mol
Exact Mass298.07
IUPAC Name1,1-dioxo-N-(3-sulfamoylpropyl)thiane-2-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C9H18N2O5S2/c10-18(15,16)7-3-5-11-9(12)8-4-1-2-6-17(8,13)14/h8H,1-7H2,(H,11,12)(H2,10,15,16)
InChIKeyCVFZEHJWEPZMSA-UHFFFAOYSA-N
XLogP-1.25
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Methylsulfonylethylsulfanyl)azepan-2-one
CID 56782800
N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiane-2-carboxamide
CID 114383515
5-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfanyl-N-propan-2-ylsulfonylpentanamide
CID 161360685
2-((1-(N,N-dimethylsulfamoyl)piperidin-4-yl)sulfonyl)-N-methylacetamide
CID 71809156
1,1,4,4-tetraoxo-N-pentyl-3-propyl-1,4-dithiane-2-carboxamide
CID 20313063
2,5-bis(ethenylsulfonyl)-N'-ethylhexanediamide
CID 21839122
N-(2-methylsulfonylethyl)hexanamide
CID 45828878
5-ethylsulfonyl-N-propylpentanamide
CID 90392095
N-[3-[4-(2-propan-2-ylsulfonylethylsulfanyl)butanoylamino]propyl]pentanamide
CID 135137209
ethane;methanethiol;N-(2-methylsulfonylethyl)hexanamide
CID 166151964
N-(2-methylsulfinylethyl)-6-[2-[5-[2-(propanoylamino)ethylsulfinyl]pentanoylamino]ethylsulfinyl]hexanamide
CID 169174928
N-[3-(butanoylsulfamoyl)propyl]hexanamide
CID 170966234

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(3-sulfamoylpropyl)thiane-2-carboxamide?
The IUPAC name of 1,1-dioxo-N-(3-sulfamoylpropyl)thiane-2-carboxamide (CID 104521843) is 1,1-dioxo-N-(3-sulfamoylpropyl)thiane-2-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-(3-sulfamoylpropyl)thiane-2-carboxamide?
The canonical SMILES for 1,1-dioxo-N-(3-sulfamoylpropyl)thiane-2-carboxamide is NS(=O)(=O)CCCNC(=O)C1CCCCS1(=O)=O.
What is the InChIKey of 1,1-dioxo-N-(3-sulfamoylpropyl)thiane-2-carboxamide?
The InChIKey is CVFZEHJWEPZMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S2/c10-18(15,16)7-3-5-11-9(12)8-4-1-2-6-17(8,13)14/h8H,1-7H2,(H,11,12)(H2,10,15,16).
What are the key properties of 1,1-dioxo-N-(3-sulfamoylpropyl)thiane-2-carboxamide?
1,1-dioxo-N-(3-sulfamoylpropyl)thiane-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of -1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(3-sulfamoylpropyl)thiane-2-carboxamide is sourced from PubChem (CID 104521843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).