N,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide

C14H22N2O2S — CID 118549662

IUPACN,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)C[C@@H]1CCN(C)C1
InChIInChI=1S/C14H22N2O2S/c1-12-6-4-5-7-14(12)19(17,18)16(3)11-13-8-9-15(2)10-13/h4-7,13H,8-11H2,1-3H3/t13-/m1/s1
InChIKeyBVXKBCWFCNCNDN-CYBMUJFWSA-N
MW282.41 g/mol
LogP1.57
Rot. Bonds4

About N,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide

N,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide (PubChem CID 118549662) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide
PubChem CID118549662
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)C[C@@H]1CCN(C)C1
InChIInChI=1S/C14H22N2O2S/c1-12-6-4-5-7-14(12)19(17,18)16(3)11-13-8-9-15(2)10-13/h4-7,13H,8-11H2,1-3H3/t13-/m1/s1
InChIKeyBVXKBCWFCNCNDN-CYBMUJFWSA-N
XLogP1.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 63275930
N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57398675
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63275642
5-amino-3-fluoro-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 79901563
3-methyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63275730
2-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
CID 63234934
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693004
2-amino-4-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 64899797
N-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103305951
3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 63274742
5-bromo-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2-sulfonamide
CID 97318384
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrazole-3-sulfonamide
CID 131935320

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of N,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide (CID 118549662) is N,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for N,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)N(C)C[C@@H]1CCN(C)C1.
What is the InChIKey of N,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is BVXKBCWFCNCNDN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-6-4-5-7-14(12)19(17,18)16(3)11-13-8-9-15(2)10-13/h4-7,13H,8-11H2,1-3H3/t13-/m1/s1.
What are the key properties of N,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide?
N,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 118549662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).