2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide

C15H25N3O2S — CID 102874822

IUPAC2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1N(CCN)C1CCC1
InChIInChI=1S/C15H25N3O2S/c1-2-11-17-21(19,20)15-9-4-3-8-14(15)18(12-10-16)13-6-5-7-13/h3-4,8-9,13,17H,2,5-7,10-12,16H2,1H3
InChIKeyLAYQFXDGBKGNDT-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.69
Rot. Bonds8

About 2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide

2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide (PubChem CID 102874822) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide
PubChem CID102874822
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1N(CCN)C1CCC1
InChIInChI=1S/C15H25N3O2S/c1-2-11-17-21(19,20)15-9-4-3-8-14(15)18(12-10-16)13-6-5-7-13/h3-4,8-9,13,17H,2,5-7,10-12,16H2,1H3
InChIKeyLAYQFXDGBKGNDT-UHFFFAOYSA-N
XLogP1.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclohexyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine
CID 63765668
N'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine
CID 63759021
2-[3-aminopropyl(cyclobutyl)amino]benzenesulfonamide
CID 102874536
N'-cyclohexyl-N'-(2-methylsulfonylphenyl)propane-1,3-diamine
CID 60870635
N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide
CID 63636485
2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide
CID 104556716
2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide
CID 66215341
N-(2-chloroethyl)-N-cyclohexyl-2-ethylsulfonylaniline
CID 63388274
N-(3-chloropropyl)-N-cyclobutyl-2-propylsulfonylaniline
CID 102871385
N-(2-bromoethyl)-N-cyclopentyl-2-methylsulfonylaniline
CID 80669660
methyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate
CID 62005097
2-(2-aminoethoxy)-N-propylbenzenesulfonamide
CID 62349526

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide?
The IUPAC name of 2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide (CID 102874822) is 2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide?
The canonical SMILES for 2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1N(CCN)C1CCC1.
What is the InChIKey of 2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide?
The InChIKey is LAYQFXDGBKGNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-11-17-21(19,20)15-9-4-3-8-14(15)18(12-10-16)13-6-5-7-13/h3-4,8-9,13,17H,2,5-7,10-12,16H2,1H3.
What are the key properties of 2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide?
2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 102874822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).