2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide

C14H25N3O3S — CID 107116608

IUPAC2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
SMILESCCCOCCCNc1cccc(S(=O)(=O)N(C)C)c1N
InChIInChI=1S/C14H25N3O3S/c1-4-10-20-11-6-9-16-12-7-5-8-13(14(12)15)21(18,19)17(2)3/h5,7-8,16H,4,6,9-11,15H2,1-3H3
InChIKeyHEBZSISQRSODJI-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.75
Rot. Bonds9

About 2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide

2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide (PubChem CID 107116608) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
PubChem CID107116608
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
SMILESCCCOCCCNc1cccc(S(=O)(=O)N(C)C)c1N
InChIInChI=1S/C14H25N3O3S/c1-4-10-20-11-6-9-16-12-7-5-8-13(14(12)15)21(18,19)17(2)3/h5,7-8,16H,4,6,9-11,15H2,1-3H3
InChIKeyHEBZSISQRSODJI-UHFFFAOYSA-N
XLogP1.75
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N,N-dimethyl-3-(3-methylsulfonylpropylamino)benzenesulfonamide
CID 107116170
4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 82942122
2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 107116285
2-amino-3-(3-methoxypropylamino)benzenesulfonamide
CID 112674652
N-(3-propoxypropyl)-2-propylsulfonylaniline
CID 82943087
2-amino-N,N-dimethyl-3-(2-pyrazol-1-ylethylamino)benzenesulfonamide
CID 107116008
2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106036483
2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid
CID 107116230
2-amino-3-[(2-ethyl-2-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107116413
2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide
CID 107116318
2-amino-N,N-dimethyl-3-(2-thiophen-2-ylethylamino)benzenesulfonamide
CID 107115573
N,N-dimethyl-2-(octylamino)benzenesulfonamide
CID 115568876

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide?
The IUPAC name of 2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide (CID 107116608) is 2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide is CCCOCCCNc1cccc(S(=O)(=O)N(C)C)c1N.
What is the InChIKey of 2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide?
The InChIKey is HEBZSISQRSODJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-4-10-20-11-6-9-16-12-7-5-8-13(14(12)15)21(18,19)17(2)3/h5,7-8,16H,4,6,9-11,15H2,1-3H3.
What are the key properties of 2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide?
2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide is sourced from PubChem (CID 107116608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).