N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide

C13H20N2O4S — CID 113138450

IUPACN-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCCC1)Cc1ccco1
InChIInChI=1S/C13H20N2O4S/c1-20(17,18)15(11-12-5-4-10-19-12)9-6-13(16)14-7-2-3-8-14/h4-5,10H,2-3,6-9,11H2,1H3
InChIKeyOOEXFICDHOUYSV-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.05
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide

N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide (PubChem CID 113138450) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
PubChem CID113138450
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCCC1)Cc1ccco1
InChIInChI=1S/C13H20N2O4S/c1-20(17,18)15(11-12-5-4-10-19-12)9-6-13(16)14-7-2-3-8-14/h4-5,10H,2-3,6-9,11H2,1H3
InChIKeyOOEXFICDHOUYSV-UHFFFAOYSA-N
XLogP1.05
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 113138523
N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113138968
3-[furan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 82326895
N-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113139188
3-[ethylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 50894680
N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113066450
N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 113139575
N-[2-(azepan-1-yl)-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2428178
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 113150299
N-[(4-methoxyphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113139616
N-(3,5-dimethylphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138527
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide
CID 113138509

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide (CID 113138450) is N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide is CS(=O)(=O)N(CCC(=O)N1CCCC1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The InChIKey is OOEXFICDHOUYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-20(17,18)15(11-12-5-4-10-19-12)9-6-13(16)14-7-2-3-8-14/h4-5,10H,2-3,6-9,11H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide?
N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 113138450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).