3-(2-aminopropyl)-4-methoxybenzenesulfonamide

C10H16N2O3S — CID 67643235

IUPAC3-(2-aminopropyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1CC(C)N
InChIInChI=1S/C10H16N2O3S/c1-7(11)5-8-6-9(16(12,13)14)3-4-10(8)15-2/h3-4,6-7H,5,11H2,1-2H3,(H2,12,13,14)
InChIKeyQYMCJMMZQVNAOY-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.23
Rot. Bonds4

About 3-(2-aminopropyl)-4-methoxybenzenesulfonamide

3-(2-aminopropyl)-4-methoxybenzenesulfonamide (PubChem CID 67643235) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-(2-aminopropyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-(2-aminopropyl)-4-methoxybenzenesulfonamide
PubChem CID67643235
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name3-(2-aminopropyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1CC(C)N
InChIInChI=1S/C10H16N2O3S/c1-7(11)5-8-6-9(16(12,13)14)3-4-10(8)15-2/h3-4,6-7H,5,11H2,1-2H3,(H2,12,13,14)
InChIKeyQYMCJMMZQVNAOY-UHFFFAOYSA-N
XLogP0.23
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 2-(2-methoxy-5-sulfamoylphenyl)acetate
CID 65381863
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
CID 117343720
CID 118692692
CID 118692692
(2S)-1-(4-ethylsulfonyl-2,5-dimethoxyphenyl)propan-2-amine
CID 101190835
3-[(cyclopropylsulfonylamino)methyl]-4-methoxybenzenesulfonamide
CID 64552219
[5-(2-aminopropyl)-4-methoxy-2-methylphenyl] methanesulfonate;hydrochloride
CID 86611659
3-[2-[2-(5-fluoro-2-methoxyphenoxy)ethylamino]propyl]-4-methoxybenzenesulfonamide;oxalic acid
CID 22157052
3-(2-aminopropyl)benzenesulfonamide
CID 72637077
N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842548
3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-methoxybenzenesulfonamide
CID 107441785
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-(2-aminopropyl)-4-methoxybenzenesulfonamide (CID 67643235) is 3-(2-aminopropyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-(2-aminopropyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-(2-aminopropyl)-4-methoxybenzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1CC(C)N.
What is the InChIKey of 3-(2-aminopropyl)-4-methoxybenzenesulfonamide?
The InChIKey is QYMCJMMZQVNAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-7(11)5-8-6-9(16(12,13)14)3-4-10(8)15-2/h3-4,6-7H,5,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 3-(2-aminopropyl)-4-methoxybenzenesulfonamide?
3-(2-aminopropyl)-4-methoxybenzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 67643235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).