3-(2-aminopropyl)benzenesulfonamide

C9H14N2O2S — CID 72637077

IUPAC3-(2-aminopropyl)benzenesulfonamide
SMILESCC(N)Cc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C9H14N2O2S/c1-7(10)5-8-3-2-4-9(6-8)14(11,12)13/h2-4,6-7H,5,10H2,1H3,(H2,11,12,13)
InChIKeyUJNDMFDXJIYMAL-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.22
Rot. Bonds3

About 3-(2-aminopropyl)benzenesulfonamide

3-(2-aminopropyl)benzenesulfonamide (PubChem CID 72637077) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-(2-aminopropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-aminopropyl)benzenesulfonamide
PubChem CID72637077
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-(2-aminopropyl)benzenesulfonamide
SMILESCC(N)Cc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C9H14N2O2S/c1-7(10)5-8-3-2-4-9(6-8)14(11,12)13/h2-4,6-7H,5,10H2,1H3,(H2,11,12,13)
InChIKeyUJNDMFDXJIYMAL-UHFFFAOYSA-N
XLogP0.22
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731394
3-(hydroxymethyl)benzenesulfonamide
CID 23133799
benzene-1,3-disulfonamide
CID 3090044
3-[(5-methylhexan-2-ylamino)methyl]benzenesulfonamide
CID 60857993
3-[(pentan-3-ylamino)methyl]benzenesulfonamide
CID 54927067
λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid
CID 173242520
3-[(ethylsulfonylamino)methyl]benzenesulfonamide
CID 47337146
3-[(2-phenylpropylamino)methyl]benzenesulfonamide
CID 60858820
2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 62638953
methanesulfonic acid;1-phenylpropan-2-amine
CID 173025540
methanesulfonic acid;(2S)-1-phenylpropan-2-amine
CID 87182702
3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 60860114

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropyl)benzenesulfonamide?
The IUPAC name of 3-(2-aminopropyl)benzenesulfonamide (CID 72637077) is 3-(2-aminopropyl)benzenesulfonamide.
What is the SMILES notation for 3-(2-aminopropyl)benzenesulfonamide?
The canonical SMILES for 3-(2-aminopropyl)benzenesulfonamide is CC(N)Cc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-(2-aminopropyl)benzenesulfonamide?
The InChIKey is UJNDMFDXJIYMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7(10)5-8-3-2-4-9(6-8)14(11,12)13/h2-4,6-7H,5,10H2,1H3,(H2,11,12,13).
What are the key properties of 3-(2-aminopropyl)benzenesulfonamide?
3-(2-aminopropyl)benzenesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)benzenesulfonamide is sourced from PubChem (CID 72637077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).