N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide

C13H22N2O2S — CID 60859443

IUPACN-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide
SMILESCc1ccc(N(CCCN)S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C13H22N2O2S/c1-11(2)18(16,17)15(10-4-9-14)13-7-5-12(3)6-8-13/h5-8,11H,4,9-10,14H2,1-3H3
InChIKeyNJZKZDDNGKIKQY-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.89
Rot. Bonds6

About N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide

N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide (PubChem CID 60859443) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide
PubChem CID60859443
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide
SMILESCc1ccc(N(CCCN)S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C13H22N2O2S/c1-11(2)18(16,17)15(10-4-9-14)13-7-5-12(3)6-8-13/h5-8,11H,4,9-10,14H2,1-3H3
InChIKeyNJZKZDDNGKIKQY-UHFFFAOYSA-N
XLogP1.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide
CID 60859587
N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine
CID 43318680
N-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide
CID 63245939
N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 60912336
N-(3-aminopropyl)-2-methyl-N-(4-methylphenyl)pyrazole-3-sulfonamide
CID 104709257
N-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide
CID 43135974
N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine
CID 43136067
N-(4-aminophenyl)-N-propylpropane-2-sulfonamide
CID 63233852
2-[N-(3-aminopropyl)-4-methylanilino]-N-methyl-N-propan-2-ylacetamide
CID 43136070
1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene
CID 114813771
[3-aminopropyl(sulfamoyl)amino]benzene
CID 115580045
N-(4-aminophenyl)-N-ethylpropane-2-sulfonamide
CID 63233825

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide (CID 60859443) is N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide is Cc1ccc(N(CCCN)S(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide?
The InChIKey is NJZKZDDNGKIKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-11(2)18(16,17)15(10-4-9-14)13-7-5-12(3)6-8-13/h5-8,11H,4,9-10,14H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide?
N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide is sourced from PubChem (CID 60859443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).