2-amino-3-[cyclopropyl(propyl)amino]-N,N-dimethylbenzenesulfonamide

C14H23N3O2S — CID 107115768

IUPAC2-amino-3-[cyclopropyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCCCN(c1cccc(S(=O)(=O)N(C)C)c1N)C1CC1
InChIInChI=1S/C14H23N3O2S/c1-4-10-17(11-8-9-11)12-6-5-7-13(14(12)15)20(18,19)16(2)3/h5-7,11H,4,8-10,15H2,1-3H3
InChIKeySGWUMQRBDLESTJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.90
Rot. Bonds6

About 2-amino-3-[cyclopropyl(propyl)amino]-N,N-dimethylbenzenesulfonamide

2-amino-3-[cyclopropyl(propyl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 107115768) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-amino-3-[cyclopropyl(propyl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[cyclopropyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID107115768
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-amino-3-[cyclopropyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCCCN(c1cccc(S(=O)(=O)N(C)C)c1N)C1CC1
InChIInChI=1S/C14H23N3O2S/c1-4-10-17(11-8-9-11)12-6-5-7-13(14(12)15)20(18,19)16(2)3/h5-7,11H,4,8-10,15H2,1-3H3
InChIKeySGWUMQRBDLESTJ-UHFFFAOYSA-N
XLogP1.90
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.90
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

2-amino-3-[cyclopropyl(cyclopropylmethyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107116376
1-N-cyclopropyl-1-N-ethyl-3-methylsulfonylbenzene-1,2-diamine
CID 82003441
2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol
CID 82002580
2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107116258
1-N-cyclopropyl-3-methylsulfonyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 82003148
2-amino-N,N-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzenesulfonamide
CID 107116637
N'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine
CID 63759021
2-N-(4-ethylcyclohexyl)-2-N-propylbenzene-1,2-diamine
CID 64748723
2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline
CID 79517972
1-N-[2-(dimethylamino)ethyl]-3-methylsulfonyl-1-N-propylbenzene-1,2-diamine
CID 82002961
N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine
CID 63304180
3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide
CID 43449230

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[cyclopropyl(propyl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-3-[cyclopropyl(propyl)amino]-N,N-dimethylbenzenesulfonamide (CID 107115768) is 2-amino-3-[cyclopropyl(propyl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-3-[cyclopropyl(propyl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-3-[cyclopropyl(propyl)amino]-N,N-dimethylbenzenesulfonamide is CCCN(c1cccc(S(=O)(=O)N(C)C)c1N)C1CC1.
What is the InChIKey of 2-amino-3-[cyclopropyl(propyl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is SGWUMQRBDLESTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-10-17(11-8-9-11)12-6-5-7-13(14(12)15)20(18,19)16(2)3/h5-7,11H,4,8-10,15H2,1-3H3.
What are the key properties of 2-amino-3-[cyclopropyl(propyl)amino]-N,N-dimethylbenzenesulfonamide?
2-amino-3-[cyclopropyl(propyl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[cyclopropyl(propyl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 107115768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).