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

C10H13NO3S2 — CID 3148573

IUPACN-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H13NO3S2/c1-11(8-4-6-16(13,14)7-8)10(12)9-3-2-5-15-9/h2-3,5,8H,4,6-7H2,1H3
InChIKeySYPAFFPCHPJKFB-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.01
Rot. Bonds2

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

N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-carboxamide (PubChem CID 3148573) has the molecular formula C10H13NO3S2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-carboxamide
PubChem CID3148573
Molecular FormulaC10H13NO3S2
Molecular Weight259.35 g/mol
Exact Mass259.03
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H13NO3S2/c1-11(8-4-6-16(13,14)7-8)10(12)9-3-2-5-15-9/h2-3,5,8H,4,6-7H2,1H3
InChIKeySYPAFFPCHPJKFB-UHFFFAOYSA-N
XLogP1.01
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-carboxamide (CID 3148573) is N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-carboxamide is CN(C(=O)c1cccs1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-carboxamide?
The InChIKey is SYPAFFPCHPJKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S2/c1-11(8-4-6-16(13,14)7-8)10(12)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-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 3148573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).