3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide

C11H18N2O2S — CID 60909550

IUPAC3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)CCCN)cc1C
InChIInChI=1S/C11H18N2O2S/c1-9-4-5-11(8-10(9)2)13-16(14,15)7-3-6-12/h4-5,8,13H,3,6-7,12H2,1-2H3
InChIKeyGOJHVBQLHPSQAW-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.39
Rot. Bonds5

About 3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide

3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide (PubChem CID 60909550) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide
PubChem CID60909550
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)CCCN)cc1C
InChIInChI=1S/C11H18N2O2S/c1-9-4-5-11(8-10(9)2)13-16(14,15)7-3-6-12/h4-5,8,13H,3,6-7,12H2,1-2H3
InChIKeyGOJHVBQLHPSQAW-UHFFFAOYSA-N
XLogP1.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide
CID 62813181
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3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide
CID 60910481
N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide
CID 54973592
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
CID 54944704
N-(4-bromo-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106058558
3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide
CID 54944430
N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide
CID 64794580
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]butane-1-sulfonamide
CID 63334556
3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propane-1-sulfonamide
CID 54944928
3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide
CID 54967740
5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43520881

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide (CID 60909550) is 3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide is Cc1ccc(NS(=O)(=O)CCCN)cc1C.
What is the InChIKey of 3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide?
The InChIKey is GOJHVBQLHPSQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9-4-5-11(8-10(9)2)13-16(14,15)7-3-6-12/h4-5,8,13H,3,6-7,12H2,1-2H3.
What are the key properties of 3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide?
3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 60909550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).