N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide

C10H15NO4S3 — CID 2972431

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1
InChIInChI=1S/C10H15NO4S3/c1-2-11(9-5-7-17(12,13)8-9)18(14,15)10-4-3-6-16-10/h3-4,6,9H,2,5,7-8H2,1H3
InChIKeyDFCUCTBFCBDRLO-UHFFFAOYSA-N
MW309.43 g/mol
LogP0.95
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide

N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide (PubChem CID 2972431) has the molecular formula C10H15NO4S3 and a molecular weight of 309.43 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide
PubChem CID2972431
Molecular FormulaC10H15NO4S3
Molecular Weight309.43 g/mol
Exact Mass309.02
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1
InChIInChI=1S/C10H15NO4S3/c1-2-11(9-5-7-17(12,13)8-9)18(14,15)10-4-3-6-16-10/h3-4,6,9H,2,5,7-8H2,1H3
InChIKeyDFCUCTBFCBDRLO-UHFFFAOYSA-N
XLogP0.95
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2813894
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CID 2880364
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CID 16302058
CID 16302058
CID 18573646
CID 18573646
CID 18573647
CID 18573647
CID 25215475
CID 25215475
CID 2943723
CID 2943723
CID 4882573
CID 4882573
CID 6464966
CID 6464966
CID 3673615
CID 3673615

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide (CID 2972431) is N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide is CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide?
The InChIKey is DFCUCTBFCBDRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S3/c1-2-11(9-5-7-17(12,13)8-9)18(14,15)10-4-3-6-16-10/h3-4,6,9H,2,5,7-8H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide?
N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide has a molecular weight of 309.43 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 2972431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).