2-(2-amino-3-methoxypropyl)benzenesulfonamide

C10H16N2O3S — CID 63197223

IUPAC2-(2-amino-3-methoxypropyl)benzenesulfonamide
SMILESCOCC(N)Cc1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-15-7-9(11)6-8-4-2-3-5-10(8)16(12,13)14/h2-5,9H,6-7,11H2,1H3,(H2,12,13,14)
InChIKeyZLHMAYXWXQWGMI-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.15
Rot. Bonds5

About 2-(2-amino-3-methoxypropyl)benzenesulfonamide

2-(2-amino-3-methoxypropyl)benzenesulfonamide (PubChem CID 63197223) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(2-amino-3-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-amino-3-methoxypropyl)benzenesulfonamide
PubChem CID63197223
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-(2-amino-3-methoxypropyl)benzenesulfonamide
SMILESCOCC(N)Cc1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-15-7-9(11)6-8-4-2-3-5-10(8)16(12,13)14/h2-5,9H,6-7,11H2,1H3,(H2,12,13,14)
InChIKeyZLHMAYXWXQWGMI-UHFFFAOYSA-N
XLogP-0.15
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-3-methylbutyl)benzenesulfonamide
CID 63197534
1-methoxy-3-naphthalen-1-ylpropan-2-amine
CID 62603537
2-(2-bromobutyl)benzenesulfonamide
CID 63203633
2-(2-hydroxypentyl)benzenesulfonamide
CID 63201594
2-(1-methoxypropan-2-ylamino)benzenesulfonamide
CID 43454220
(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine
CID 94868216
2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide
CID 63198012
2-(2,3-dimethoxypropylamino)benzenesulfonamide
CID 114100732
1-(benzenesulfonyl)-3-methoxypropan-2-amine
CID 107508474
2-methoxy-3-(2-methylpropyl)benzenesulfonamide
CID 141351219
1-(2,2-dimethoxyethyl)-2-[2-(2,2-dimethoxyethyl)phenyl]sulfonylbenzene
CID 139670651
2-amino-3-(2-methylsulfonylphenyl)propanoic acid
CID 117359904

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methoxypropyl)benzenesulfonamide?
The IUPAC name of 2-(2-amino-3-methoxypropyl)benzenesulfonamide (CID 63197223) is 2-(2-amino-3-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 2-(2-amino-3-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 2-(2-amino-3-methoxypropyl)benzenesulfonamide is COCC(N)Cc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(2-amino-3-methoxypropyl)benzenesulfonamide?
The InChIKey is ZLHMAYXWXQWGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-15-7-9(11)6-8-4-2-3-5-10(8)16(12,13)14/h2-5,9H,6-7,11H2,1H3,(H2,12,13,14).
What are the key properties of 2-(2-amino-3-methoxypropyl)benzenesulfonamide?
2-(2-amino-3-methoxypropyl)benzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 63197223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).