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

C12H19NO4S3 — CID 4882573

IUPACN-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H19NO4S3/c1-10(2)8-13(11-5-7-19(14,15)9-11)20(16,17)12-4-3-6-18-12/h3-4,6,10-11H,5,7-9H2,1-2H3
InChIKeyQQXLLUDMSNRAEN-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.58
Rot. Bonds5

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

N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)thiophene-2-sulfonamide (PubChem CID 4882573) has the molecular formula C12H19NO4S3 and a molecular weight of 337.49 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)thiophene-2-sulfonamide
PubChem CID4882573
Molecular FormulaC12H19NO4S3
Molecular Weight337.49 g/mol
Exact Mass337.05
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H19NO4S3/c1-10(2)8-13(11-5-7-19(14,15)9-11)20(16,17)12-4-3-6-18-12/h3-4,6,10-11H,5,7-9H2,1-2H3
InChIKeyQQXLLUDMSNRAEN-UHFFFAOYSA-N
XLogP1.58
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)thiophene-2-sulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)thiophene-2-sulfonamide (CID 4882573) is N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)thiophene-2-sulfonamide is CC(C)CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)thiophene-2-sulfonamide?
The InChIKey is QQXLLUDMSNRAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S3/c1-10(2)8-13(11-5-7-19(14,15)9-11)20(16,17)12-4-3-6-18-12/h3-4,6,10-11H,5,7-9H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)thiophene-2-sulfonamide?
N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)thiophene-2-sulfonamide has a molecular weight of 337.49 g/mol, XLogP of 1.58, 5 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-(2-methylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 4882573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).