N-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide

C13H20N2O4S — CID 47416164

IUPACN-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCCC2C(C)C)o1
InChIInChI=1S/C13H20N2O4S/c1-9(2)10-5-4-8-15(10)13(16)11-6-7-12(19-11)20(17,18)14-3/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyDNCWVJSGOKMGKI-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.45
Rot. Bonds4

About N-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide

N-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide (PubChem CID 47416164) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide
PubChem CID47416164
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCCC2C(C)C)o1
InChIInChI=1S/C13H20N2O4S/c1-9(2)10-5-4-8-15(10)13(16)11-6-7-12(19-11)20(17,18)14-3/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyDNCWVJSGOKMGKI-UHFFFAOYSA-N
XLogP1.45
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 119437647
5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 124592409
N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-2-sulfonamide
CID 119493697
N-tert-butyl-5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)furan-2-sulfonamide
CID 86965922
N-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide
CID 55647946
5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 112531799
1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 39896620
methyl 5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]sulfonylfuran-2-carboxylate
CID 95760855
N-methyl-5-[(2R)-2-methylmorpholine-4-carbonyl]furan-2-sulfonamide
CID 94023334
2-[4-[5-(methylsulfamoyl)furan-2-carbonyl]thiomorpholin-3-yl]acetic acid
CID 119210796
2-[5-(methylsulfamoyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119196052
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 119434986

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide?
The IUPAC name of N-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide (CID 47416164) is N-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide.
What is the SMILES notation for N-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide?
The canonical SMILES for N-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide is CNS(=O)(=O)c1ccc(C(=O)N2CCCC2C(C)C)o1.
What is the InChIKey of N-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide?
The InChIKey is DNCWVJSGOKMGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-9(2)10-5-4-8-15(10)13(16)11-6-7-12(19-11)20(17,18)14-3/h6-7,9-10,14H,4-5,8H2,1-3H3.
What are the key properties of N-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide?
N-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide has a molecular weight of 300.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide is sourced from PubChem (CID 47416164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).