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

C9H13NO4S3 — CID 18573646

IUPACN-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-sulfonamide
SMILESCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1
InChIInChI=1S/C9H13NO4S3/c1-10(8-4-6-16(11,12)7-8)17(13,14)9-3-2-5-15-9/h2-3,5,8H,4,6-7H2,1H3
InChIKeyDQLVYOYZSZEUTO-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.56
Rot. Bonds3

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

N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-sulfonamide (PubChem CID 18573646) has the molecular formula C9H13NO4S3 and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-sulfonamide
PubChem CID18573646
Molecular FormulaC9H13NO4S3
Molecular Weight295.41 g/mol
Exact Mass295.00
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-sulfonamide
SMILESCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1
InChIInChI=1S/C9H13NO4S3/c1-10(8-4-6-16(11,12)7-8)17(13,14)9-3-2-5-15-9/h2-3,5,8H,4,6-7H2,1H3
InChIKeyDQLVYOYZSZEUTO-UHFFFAOYSA-N
XLogP0.56
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.56
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-methylthiophene-2-sulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-sulfonamide (CID 18573646) is N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-sulfonamide is CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-sulfonamide?
The InChIKey is DQLVYOYZSZEUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S3/c1-10(8-4-6-16(11,12)7-8)17(13,14)9-3-2-5-15-9/h2-3,5,8H,4,6-7H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-sulfonamide?
N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-sulfonamide has a molecular weight of 295.41 g/mol, XLogP of 0.56, 3 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-methylthiophene-2-sulfonamide is sourced from PubChem (CID 18573646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).