N-butyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide

C12H19NO4S3 — CID 18573647

IUPACN-butyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide
SMILESCCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H19NO4S3/c1-2-3-7-13(11-6-9-19(14,15)10-11)20(16,17)12-5-4-8-18-12/h4-5,8,11H,2-3,6-7,9-10H2,1H3
InChIKeyXGNNTSVNXYKQEX-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.73
Rot. Bonds6

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

N-butyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide (PubChem CID 18573647) has the molecular formula C12H19NO4S3 and a molecular weight of 337.49 g/mol. Its IUPAC name is N-butyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide
PubChem CID18573647
Molecular FormulaC12H19NO4S3
Molecular Weight337.49 g/mol
Exact Mass337.05
IUPAC NameN-butyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide
SMILESCCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H19NO4S3/c1-2-3-7-13(11-6-9-19(14,15)10-11)20(16,17)12-5-4-8-18-12/h4-5,8,11H,2-3,6-7,9-10H2,1H3
InChIKeyXGNNTSVNXYKQEX-UHFFFAOYSA-N
XLogP1.73
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide (CID 18573647) is N-butyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-butyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-butyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide is CCCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-butyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide?
The InChIKey is XGNNTSVNXYKQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S3/c1-2-3-7-13(11-6-9-19(14,15)10-11)20(16,17)12-5-4-8-18-12/h4-5,8,11H,2-3,6-7,9-10H2,1H3.
What are the key properties of N-butyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide?
N-butyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide has a molecular weight of 337.49 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1,1-dioxothiolan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 18573647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).