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

C10H13NO4S — CID 2790131

IUPACN-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H13NO4S/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
InChIKeyRKKBQRXZWISQEY-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.54
Rot. Bonds2

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

N-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide (PubChem CID 2790131) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide
PubChem CID2790131
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H13NO4S/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
InChIKeyRKKBQRXZWISQEY-UHFFFAOYSA-N
XLogP0.54
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone
CID 43227354
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylfuran-2-carboxamide
CID 2337336
N-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide
CID 115270100
4-N-(1,1-dioxothiolan-3-yl)-1-N-(furan-2-ylmethyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109046549
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-methylthiophen-2-yl)methyl]furan-2-carboxamide
CID 7378482
N-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide
CID 109026593
N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide
CID 3794027
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-oxopyran-3-carboxamide
CID 110697472
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 40643700
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
methyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate
CID 115270420

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide (CID 2790131) is N-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide is CN(C(=O)c1ccco1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide?
The InChIKey is RKKBQRXZWISQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/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-methylfuran-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide has a molecular weight of 243.28 g/mol, XLogP of 0.54, 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-methylfuran-2-carboxamide is sourced from PubChem (CID 2790131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).