N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]propane-1-sulfonamide

C15H22N2O3S — CID 16919832

IUPACN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C15H22N2O3S/c1-2-8-21(19,20)16-10-14-9-15(18)17(12-14)11-13-6-4-3-5-7-13/h3-7,14,16H,2,8-12H2,1H3
InChIKeyMGLYCJRALVVNBS-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.36
Rot. Bonds7

About N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]propane-1-sulfonamide

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]propane-1-sulfonamide (PubChem CID 16919832) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]propane-1-sulfonamide
PubChem CID16919832
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C15H22N2O3S/c1-2-8-21(19,20)16-10-14-9-15(18)17(12-14)11-13-6-4-3-5-7-13/h3-7,14,16H,2,8-12H2,1H3
InChIKeyMGLYCJRALVVNBS-UHFFFAOYSA-N
XLogP1.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]butane-1-sulfonamide
CID 110640225
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 16919844
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16919255
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16919846
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide
CID 94816598
(1-benzyl-5-oxopyrrolidin-3-yl)methyl methanesulfonate
CID 71623233
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide
CID 16919382
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide
CID 139763375
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]propane-1-sulfonamide (CID 16919832) is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]propane-1-sulfonamide?
The InChIKey is MGLYCJRALVVNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-8-21(19,20)16-10-14-9-15(18)17(12-14)11-13-6-4-3-5-7-13/h3-7,14,16H,2,8-12H2,1H3.
What are the key properties of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]propane-1-sulfonamide?
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]propane-1-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 16919832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).