5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide

C14H25N3O2S — CID 103187524

IUPAC5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C14H25N3O2S/c1-6-17(12(3)10-16(4)5)20(18,19)14-9-13(15)8-7-11(14)2/h7-9,12H,6,10,15H2,1-5H3
InChIKeyLOJALDJSQVSVPQ-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.54
Rot. Bonds6

About 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide

5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide (PubChem CID 103187524) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
PubChem CID103187524
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C14H25N3O2S/c1-6-17(12(3)10-16(4)5)20(18,19)14-9-13(15)8-7-11(14)2/h7-9,12H,6,10,15H2,1-5H3
InChIKeyLOJALDJSQVSVPQ-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
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

5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide
CID 61111850
5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
CID 103192247
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671
5-amino-N,N-diethyl-2-methylbenzenesulfonamide
CID 3643281
5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 82948618
5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide
CID 61138965
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide
CID 103187456
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide
CID 103191041
5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43265424
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103190536
2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103188525
3-amino-5-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
CID 103187486

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide (CID 103187524) is 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide is CCN(C(C)CN(C)C)S(=O)(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide?
The InChIKey is LOJALDJSQVSVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-6-17(12(3)10-16(4)5)20(18,19)14-9-13(15)8-7-11(14)2/h7-9,12H,6,10,15H2,1-5H3.
What are the key properties of 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide?
5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 103187524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).