4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide

C12H19N3O2S — CID 129391721

IUPAC4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
SMILESCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(N)cc2)C1
InChIInChI=1S/C12H19N3O2S/c1-14-8-7-11(9-14)15(2)18(16,17)12-5-3-10(13)4-6-12/h3-6,11H,7-9,13H2,1-2H3/t11-/m1/s1
InChIKeyNBAROLKHNHWARQ-LLVKDONJSA-N
MW269.37 g/mol
LogP0.59
Rot. Bonds3

About 4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide

4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide (PubChem CID 129391721) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
PubChem CID129391721
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
SMILESCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(N)cc2)C1
InChIInChI=1S/C12H19N3O2S/c1-14-8-7-11(9-14)15(2)18(16,17)12-5-3-10(13)4-6-12/h3-6,11H,7-9,13H2,1-2H3/t11-/m1/s1
InChIKeyNBAROLKHNHWARQ-LLVKDONJSA-N
XLogP0.59
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(1-cyclopropylpiperidin-3-yl)-N-methylbenzenesulfonamide
CID 89384947
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62547305
N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 64587065
4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 60639726
N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62545781
4-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62545685
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 715058
4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741535
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57393432
N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 57398674
5-amino-2-bromo-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 65206502
4-amino-N-[1-(2-diethoxyphosphorylethyl)piperidin-4-yl]-N-methylbenzenesulfonamide
CID 89231816

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide (CID 129391721) is 4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide is CN1CC[C@@H](N(C)S(=O)(=O)c2ccc(N)cc2)C1.
What is the InChIKey of 4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is NBAROLKHNHWARQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-14-8-7-11(9-14)15(2)18(16,17)12-5-3-10(13)4-6-12/h3-6,11H,7-9,13H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide?
4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 129391721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).