4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide

C14H23N3O2S — CID 82900867

IUPAC4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(N(C)CC2CCC2)c1
InChIInChI=1S/C14H23N3O2S/c1-3-16-20(18,19)12-7-8-13(15)14(9-12)17(2)10-11-5-4-6-11/h7-9,11,16H,3-6,10,15H2,1-2H3
InChIKeyFWIDHQRFLJWHEC-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.80
Rot. Bonds6

About 4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide

4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide (PubChem CID 82900867) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide
PubChem CID82900867
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(N(C)CC2CCC2)c1
InChIInChI=1S/C14H23N3O2S/c1-3-16-20(18,19)12-7-8-13(15)14(9-12)17(2)10-11-5-4-6-11/h7-9,11,16H,3-6,10,15H2,1-2H3
InChIKeyFWIDHQRFLJWHEC-UHFFFAOYSA-N
XLogP1.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-3-[methyl(thiolan-3-yl)amino]benzenesulfonamide
CID 82898648
3-amino-4-[cyclohexylmethyl(methyl)amino]benzenesulfonamide
CID 61444804
4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide
CID 82902643
4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide
CID 82900800
3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide
CID 62860940
4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82899998
4-cyano-3-[cyclobutylmethyl(methyl)amino]benzenesulfonamide
CID 119050895
4-amino-N-ethyl-3-hydroxybenzenesulfonamide
CID 82901390
2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 62856614
2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide
CID 82899245
3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862
4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide
CID 82903335

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide (CID 82900867) is 4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(N(C)CC2CCC2)c1.
What is the InChIKey of 4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide?
The InChIKey is FWIDHQRFLJWHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-16-20(18,19)12-7-8-13(15)14(9-12)17(2)10-11-5-4-6-11/h7-9,11,16H,3-6,10,15H2,1-2H3.
What are the key properties of 4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide?
4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 82900867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).