N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide

C13H18N2O3S — CID 131899676

IUPACN-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCN1CC(CN(C)S(=O)(=O)c2ccccc2)CC1=O
InChIInChI=1S/C13H18N2O3S/c1-14-9-11(8-13(14)16)10-15(2)19(17,18)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyHSTUNYUNSRAFBB-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.79
Rot. Bonds4

About N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide

N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide (PubChem CID 131899676) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
PubChem CID131899676
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCN1CC(CN(C)S(=O)(=O)c2ccccc2)CC1=O
InChIInChI=1S/C13H18N2O3S/c1-14-9-11(8-13(14)16)10-15(2)19(17,18)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyHSTUNYUNSRAFBB-UHFFFAOYSA-N
XLogP0.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-iodoazetidin-3-yl)methyl]-N-methylbenzenesulfonamide
CID 139296803
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 131926041
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-methoxy-N-methylbenzenesulfonamide
CID 131890870
N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110736572
N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 64587065
2-[2-[[methyl-[[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl]amino]methyl]phenoxy]acetic acid
CID 99939363
2-[2-[[methyl-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]amino]methyl]phenoxy]acetic acid
CID 99939361
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79313037
N-(bromomethyl)-N-methylbenzenesulfonamide
CID 66916911
N-[[4-(dimethylamino)-6-[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzenesulfonamide
CID 92621038
4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
CID 47291841
N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2-phenoxyethanesulfonamide
CID 131945401

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide (CID 131899676) is N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide is CN1CC(CN(C)S(=O)(=O)c2ccccc2)CC1=O.
What is the InChIKey of N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is HSTUNYUNSRAFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-14-9-11(8-13(14)16)10-15(2)19(17,18)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide?
N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 282.36 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 131899676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).