4-[(3R)-3-aminobutyl]benzenesulfonamide

C10H16N2O2S — CID 54189732

IUPAC4-[(3R)-3-aminobutyl]benzenesulfonamide
SMILESC[C@@H](N)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H16N2O2S/c1-8(11)2-3-9-4-6-10(7-5-9)15(12,13)14/h4-8H,2-3,11H2,1H3,(H2,12,13,14)/t8-/m1/s1
InChIKeyPHRBSPGSALUGHX-MRVPVSSYSA-N
MW228.32 g/mol
LogP0.61
Rot. Bonds4

About 4-[(3R)-3-aminobutyl]benzenesulfonamide

4-[(3R)-3-aminobutyl]benzenesulfonamide (PubChem CID 54189732) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-[(3R)-3-aminobutyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3R)-3-aminobutyl]benzenesulfonamide
PubChem CID54189732
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-[(3R)-3-aminobutyl]benzenesulfonamide
SMILESC[C@@H](N)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H16N2O2S/c1-8(11)2-3-9-4-6-10(7-5-9)15(12,13)14/h4-8H,2-3,11H2,1H3,(H2,12,13,14)/t8-/m1/s1
InChIKeyPHRBSPGSALUGHX-MRVPVSSYSA-N
XLogP0.61
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60905744
(2R)-4-(4-propan-2-ylphenyl)butan-2-amine
CID 40999647
2-methyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanimidamide
CID 63178097
(2S)-4-phenylbutan-2-amine
CID 6994564
5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104684895
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
4-nonylbenzenesulfonamide
CID 19845394
4-[3-(propan-2-ylsulfonylamino)propyl]benzenesulfonamide
CID 60906181
N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 55789846
N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide
CID 60651835
sodium 4-(3-methylbutyl)benzenesulfonate
CID 23686331

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminobutyl]benzenesulfonamide?
The IUPAC name of 4-[(3R)-3-aminobutyl]benzenesulfonamide (CID 54189732) is 4-[(3R)-3-aminobutyl]benzenesulfonamide.
What is the SMILES notation for 4-[(3R)-3-aminobutyl]benzenesulfonamide?
The canonical SMILES for 4-[(3R)-3-aminobutyl]benzenesulfonamide is C[C@@H](N)CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(3R)-3-aminobutyl]benzenesulfonamide?
The InChIKey is PHRBSPGSALUGHX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8(11)2-3-9-4-6-10(7-5-9)15(12,13)14/h4-8H,2-3,11H2,1H3,(H2,12,13,14)/t8-/m1/s1.
What are the key properties of 4-[(3R)-3-aminobutyl]benzenesulfonamide?
4-[(3R)-3-aminobutyl]benzenesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminobutyl]benzenesulfonamide is sourced from PubChem (CID 54189732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).