N,N,2-trimethyl-5-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]benzenesulfonamide

C16H25N3O3S — CID 41192764

IUPACN,N,2-trimethyl-5-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]benzenesulfonamide
SMILESCc1ccc(N[C@H](C)C(=O)N2CCCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H25N3O3S/c1-12-7-8-14(11-15(12)23(21,22)18(3)4)17-13(2)16(20)19-9-5-6-10-19/h7-8,11,13,17H,5-6,9-10H2,1-4H3/t13-/m1/s1
InChIKeyQUIMZMYBYMQDFO-CYBMUJFWSA-N
MW339.46 g/mol
LogP1.67
Rot. Bonds5

About N,N,2-trimethyl-5-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]benzenesulfonamide

N,N,2-trimethyl-5-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]benzenesulfonamide (PubChem CID 41192764) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N,N,2-trimethyl-5-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N,2-trimethyl-5-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]benzenesulfonamide
PubChem CID41192764
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN,N,2-trimethyl-5-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]benzenesulfonamide
SMILESCc1ccc(N[C@H](C)C(=O)N2CCCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H25N3O3S/c1-12-7-8-14(11-15(12)23(21,22)18(3)4)17-13(2)16(20)19-9-5-6-10-19/h7-8,11,13,17H,5-6,9-10H2,1-4H3/t13-/m1/s1
InChIKeyQUIMZMYBYMQDFO-CYBMUJFWSA-N
XLogP1.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N,2-trimethyl-5-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]benzenesulfonamide with MolForge

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Related Compounds

2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083632
2-(4-bromo-3-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083553
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7830463
2-(4-methyl-3-nitroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 115571718
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 110347765
1-(azepan-1-yl)-2-[4-(dimethylamino)anilino]propan-1-one
CID 43408353
2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one
CID 115378152
(2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 41328427
N-[4-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 40927940
2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43806052
4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 110347447

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]benzenesulfonamide?
The IUPAC name of N,N,2-trimethyl-5-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]benzenesulfonamide (CID 41192764) is N,N,2-trimethyl-5-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for N,N,2-trimethyl-5-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]benzenesulfonamide?
The canonical SMILES for N,N,2-trimethyl-5-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]benzenesulfonamide is Cc1ccc(N[C@H](C)C(=O)N2CCCC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-5-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]benzenesulfonamide?
The InChIKey is QUIMZMYBYMQDFO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-7-8-14(11-15(12)23(21,22)18(3)4)17-13(2)16(20)19-9-5-6-10-19/h7-8,11,13,17H,5-6,9-10H2,1-4H3/t13-/m1/s1.
What are the key properties of N,N,2-trimethyl-5-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]benzenesulfonamide?
N,N,2-trimethyl-5-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]benzenesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 41192764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).