N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide

C9H11NO3S2 — CID 2891912

IUPACN-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cccs1
InChIInChI=1S/C9H11NO3S2/c11-9(8-2-1-4-14-8)10-7-3-5-15(12,13)6-7/h1-2,4,7H,3,5-6H2,(H,10,11)
InChIKeyQZITWTJGIMOGOA-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.67
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide

N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide (PubChem CID 2891912) has the molecular formula C9H11NO3S2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide
PubChem CID2891912
Molecular FormulaC9H11NO3S2
Molecular Weight245.32 g/mol
Exact Mass245.02
IUPAC NameN-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cccs1
InChIInChI=1S/C9H11NO3S2/c11-9(8-2-1-4-14-8)10-7-3-5-15(12,13)6-7/h1-2,4,7H,3,5-6H2,(H,10,11)
InChIKeyQZITWTJGIMOGOA-UHFFFAOYSA-N
XLogP0.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide (CID 2891912) is N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1cccs1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide?
The InChIKey is QZITWTJGIMOGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S2/c11-9(8-2-1-4-14-8)10-7-3-5-15(12,13)6-7/h1-2,4,7H,3,5-6H2,(H,10,11).
What are the key properties of N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide has a molecular weight of 245.32 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 2891912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).