4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide

C11H17N3O2S — CID 82898673

IUPAC4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NC2CC2C)c1
InChIInChI=1S/C11H17N3O2S/c1-7-5-10(7)14-11-6-8(3-4-9(11)12)17(15,16)13-2/h3-4,6-7,10,13-14H,5,12H2,1-2H3
InChIKeyFWMSHKITALFRDL-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.00
Rot. Bonds4

About 4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide

4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide (PubChem CID 82898673) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
PubChem CID82898673
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NC2CC2C)c1
InChIInChI=1S/C11H17N3O2S/c1-7-5-10(7)14-11-6-8(3-4-9(11)12)17(15,16)13-2/h3-4,6-7,10,13-14H,5,12H2,1-2H3
InChIKeyFWMSHKITALFRDL-UHFFFAOYSA-N
XLogP1.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide
CID 82900869
4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82900359
4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 82901713
4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide
CID 82900583
4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide
CID 82901171
2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 80646231
4-amino-3-(1-cyclohexylethylamino)-N-methylbenzenesulfonamide
CID 82900358
4-amino-N-methyl-3-(morpholin-4-ylamino)benzenesulfonamide
CID 83003158
4-amino-3-(butan-2-ylamino)-N-methylbenzenesulfonamide
CID 82899814
4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide
CID 106183615
4-amino-3-(4-bromoanilino)-N-methylbenzenesulfonamide
CID 82899071
4-amino-N-methyl-3-(thiolan-3-ylmethylamino)benzenesulfonamide
CID 107294980

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide (CID 82898673) is 4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(NC2CC2C)c1.
What is the InChIKey of 4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide?
The InChIKey is FWMSHKITALFRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7-5-10(7)14-11-6-8(3-4-9(11)12)17(15,16)13-2/h3-4,6-7,10,13-14H,5,12H2,1-2H3.
What are the key properties of 4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide?
4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide is sourced from PubChem (CID 82898673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).