N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-3-methylbenzenesulfonamide

C14H22N2O3S — CID 129461919

IUPACN-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CN(C)C[C@H]2C)cc1C
InChIInChI=1S/C14H22N2O3S/c1-10-7-12(5-6-14(10)19-4)20(17,18)15-13-9-16(3)8-11(13)2/h5-7,11,13,15H,8-9H2,1-4H3/t11-,13+/m1/s1
InChIKeyOZIDBLWYALJSCC-YPMHNXCESA-N
MW298.41 g/mol
LogP1.23
Rot. Bonds4

About N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-3-methylbenzenesulfonamide

N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 129461919) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
PubChem CID129461919
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CN(C)C[C@H]2C)cc1C
InChIInChI=1S/C14H22N2O3S/c1-10-7-12(5-6-14(10)19-4)20(17,18)15-13-9-16(3)8-11(13)2/h5-7,11,13,15H,8-9H2,1-4H3/t11-,13+/m1/s1
InChIKeyOZIDBLWYALJSCC-YPMHNXCESA-N
XLogP1.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 129461731
4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725010
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 43597328
3-fluoro-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-methylbenzenesulfonamide
CID 122572087
4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide
CID 106919626
4-methoxy-3-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868838
1-acetyl-N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 96513729
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277889
4-methoxy-3-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzenesulfonamide
CID 53278380
N-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide
CID 167781078
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-3-methylbenzenesulfonamide (CID 129461919) is N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@H]2CN(C)C[C@H]2C)cc1C.
What is the InChIKey of N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is OZIDBLWYALJSCC-YPMHNXCESA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-7-12(5-6-14(10)19-4)20(17,18)15-13-9-16(3)8-11(13)2/h5-7,11,13,15H,8-9H2,1-4H3/t11-,13+/m1/s1.
What are the key properties of N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-3-methylbenzenesulfonamide?
N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 129461919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).