3-amino-N-[3-(dimethylamino)propyl]-N,4,5-trimethylbenzenesulfonamide

C14H25N3O2S — CID 63695661

IUPAC3-amino-N-[3-(dimethylamino)propyl]-N,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCCN(C)C)cc(N)c1C
InChIInChI=1S/C14H25N3O2S/c1-11-9-13(10-14(15)12(11)2)20(18,19)17(5)8-6-7-16(3)4/h9-10H,6-8,15H2,1-5H3
InChIKeyAWZRDUPRWHKTRV-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.46
Rot. Bonds6

About 3-amino-N-[3-(dimethylamino)propyl]-N,4,5-trimethylbenzenesulfonamide

3-amino-N-[3-(dimethylamino)propyl]-N,4,5-trimethylbenzenesulfonamide (PubChem CID 63695661) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)propyl]-N,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)propyl]-N,4,5-trimethylbenzenesulfonamide
PubChem CID63695661
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name3-amino-N-[3-(dimethylamino)propyl]-N,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCCN(C)C)cc(N)c1C
InChIInChI=1S/C14H25N3O2S/c1-11-9-13(10-14(15)12(11)2)20(18,19)17(5)8-6-7-16(3)4/h9-10H,6-8,15H2,1-5H3
InChIKeyAWZRDUPRWHKTRV-UHFFFAOYSA-N
XLogP1.46
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.46
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

N-[3-(dimethylamino)propyl]-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide
CID 81427216
3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide
CID 43268301
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,5-trimethylbenzenesulfonamide
CID 61115072
3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587373
2-amino-N-[3-(dimethylamino)propyl]-N,3,6-trimethylbenzenesulfonamide
CID 103171508
3-amino-N,N-bis(cyanomethyl)-4,5-dimethylbenzenesulfonamide
CID 29277771
methyl 4-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]butanoate
CID 116791607
4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide
CID 55225592
3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide
CID 107197609
3-amino-N,4,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63725570
3-amino-N-cyclobutyl-N-(3-hydroxypropyl)-4,5-dimethylbenzenesulfonamide
CID 102859099
2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587581

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)propyl]-N,4,5-trimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)propyl]-N,4,5-trimethylbenzenesulfonamide (CID 63695661) is 3-amino-N-[3-(dimethylamino)propyl]-N,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylamino)propyl]-N,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)propyl]-N,4,5-trimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)CCCN(C)C)cc(N)c1C.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)propyl]-N,4,5-trimethylbenzenesulfonamide?
The InChIKey is AWZRDUPRWHKTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-11-9-13(10-14(15)12(11)2)20(18,19)17(5)8-6-7-16(3)4/h9-10H,6-8,15H2,1-5H3.
What are the key properties of 3-amino-N-[3-(dimethylamino)propyl]-N,4,5-trimethylbenzenesulfonamide?
3-amino-N-[3-(dimethylamino)propyl]-N,4,5-trimethylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylamino)propyl]-N,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 63695661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).