N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide

C10H13NO4S — CID 30583271

IUPACN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide
SMILESC[C@@]1(NC(=O)c2ccoc2)CCS(=O)(=O)C1
InChIInChI=1S/C10H13NO4S/c1-10(3-5-16(13,14)7-10)11-9(12)8-2-4-15-6-8/h2,4,6H,3,5,7H2,1H3,(H,11,12)/t10-/m1/s1
InChIKeyVKNZFMDBCJXGKY-SNVBAGLBSA-N
MW243.28 g/mol
LogP0.59
Rot. Bonds2

About N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide

N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide (PubChem CID 30583271) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide
PubChem CID30583271
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC NameN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide
SMILESC[C@@]1(NC(=O)c2ccoc2)CCS(=O)(=O)C1
InChIInChI=1S/C10H13NO4S/c1-10(3-5-16(13,14)7-10)11-9(12)8-2-4-15-6-8/h2,4,6H,3,5,7H2,1H3,(H,11,12)/t10-/m1/s1
InChIKeyVKNZFMDBCJXGKY-SNVBAGLBSA-N
XLogP0.59
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
2-bromo-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-3-carboxamide
CID 106853081
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-methylsulfanylbenzamide
CID 30415077
3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60718307
2,6-dibromo-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-4-carboxamide
CID 140870093
4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 103951728
5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 60722078
3-N-(3-methyl-1,1-dioxothiolan-3-yl)benzene-1,3-dicarboxamide
CID 43057320
5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-2-carboxamide
CID 51183630
5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 63859452
2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716599

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide?
The IUPAC name of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide (CID 30583271) is N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide is C[C@@]1(NC(=O)c2ccoc2)CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide?
The InChIKey is VKNZFMDBCJXGKY-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-10(3-5-16(13,14)7-10)11-9(12)8-2-4-15-6-8/h2,4,6H,3,5,7H2,1H3,(H,11,12)/t10-/m1/s1.
What are the key properties of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide?
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide has a molecular weight of 243.28 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide is sourced from PubChem (CID 30583271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).