2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide

C13H21N3O2S — CID 107397185

IUPAC2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide
SMILESCCN(CC1CCC1)c1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C13H21N3O2S/c1-2-16(9-10-4-3-5-10)11-6-7-13(12(14)8-11)19(15,17)18/h6-8,10H,2-5,9,14H2,1H3,(H2,15,17,18)
InChIKeyDVFGYKIHGHFJHD-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.54
Rot. Bonds5

About 2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide

2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide (PubChem CID 107397185) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide
PubChem CID107397185
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide
SMILESCCN(CC1CCC1)c1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C13H21N3O2S/c1-2-16(9-10-4-3-5-10)11-6-7-13(12(14)8-11)19(15,17)18/h6-8,10H,2-5,9,14H2,1H3,(H2,15,17,18)
InChIKeyDVFGYKIHGHFJHD-UHFFFAOYSA-N
XLogP1.54
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.54
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

2-amino-4-(diethylamino)benzenesulfonamide
CID 79460140
2-amino-4-[ethyl(propyl)amino]benzenesulfonamide
CID 79466974
2-(3-amino-N-ethyl-4-sulfamoylanilino)acetamide
CID 103101163
2-amino-4-[benzyl(ethyl)amino]benzenesulfonamide
CID 79466847
2-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenesulfonamide
CID 79467123
2-amino-4-[cyclopropylmethyl(propyl)amino]-N-methylbenzenesulfonamide
CID 80645589
1-N,1-N-diethyl-4-methylsulfonylbenzene-1,3-diamine
CID 56831943
2-amino-4-[bis(2-methylpropyl)amino]benzenesulfonamide
CID 79466432
3-amino-6-[cyclobutylmethyl(ethyl)amino]-1,3-dihydroindol-2-one
CID 107399204
2-amino-4-(dimethylamino)benzenesulfonamide
CID 79466326
1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine
CID 107397225
1-N-cyclohexyl-1-N-ethyl-4-ethylsulfonylbenzene-1,3-diamine
CID 56831959

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide (CID 107397185) is 2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide is CCN(CC1CCC1)c1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide?
The InChIKey is DVFGYKIHGHFJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-2-16(9-10-4-3-5-10)11-6-7-13(12(14)8-11)19(15,17)18/h6-8,10H,2-5,9,14H2,1H3,(H2,15,17,18).
What are the key properties of 2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide?
2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide is sourced from PubChem (CID 107397185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).