4-amino-N-propylbenzenesulfinamide

C9H14N2OS — CID 82469313

IUPAC4-amino-N-propylbenzenesulfinamide
SMILESCCCNS(=O)c1ccc(N)cc1
InChIInChI=1S/C9H14N2OS/c1-2-7-11-13(12)9-5-3-8(10)4-6-9/h3-6,11H,2,7,10H2,1H3
InChIKeyAHBOTWCGMXLLFP-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.29
Rot. Bonds4

About 4-amino-N-propylbenzenesulfinamide

4-amino-N-propylbenzenesulfinamide (PubChem CID 82469313) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-amino-N-propylbenzenesulfinamide.

Molecular Properties

Compound Name4-amino-N-propylbenzenesulfinamide
PubChem CID82469313
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name4-amino-N-propylbenzenesulfinamide
SMILESCCCNS(=O)c1ccc(N)cc1
InChIInChI=1S/C9H14N2OS/c1-2-7-11-13(12)9-5-3-8(10)4-6-9/h3-6,11H,2,7,10H2,1H3
InChIKeyAHBOTWCGMXLLFP-UHFFFAOYSA-N
XLogP1.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)sulfinylpropanamide
CID 166696562
4-(2-methylbut-3-en-2-yloxy)-N-propylbenzenesulfinamide
CID 139639346
4-amino-N-(2-ethylphenyl)benzenesulfinamide
CID 82484751
benzene-1,4-diamine;butane
CID 67434753
4-methylsulfinylaniline
CID 11435065
4-amino-N-octylsulfanylbenzenesulfinamide;ethane;methoxymethane;propane
CID 144561358
4-bromo-N-(2-hydroxyethyl)benzenesulfinamide
CID 156509952
2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide
CID 81201988
1-(4-aminophenyl)-N-propylmethanesulfonamide
CID 28546657
N-propylpropane-2-sulfinamide
CID 89074184
4-[1-(4-aminophenyl)propyl]benzenesulfinic acid
CID 175079041
4-amino-N-(4-cyanophenyl)benzenesulfinamide
CID 82482996

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propylbenzenesulfinamide?
The IUPAC name of 4-amino-N-propylbenzenesulfinamide (CID 82469313) is 4-amino-N-propylbenzenesulfinamide.
What is the SMILES notation for 4-amino-N-propylbenzenesulfinamide?
The canonical SMILES for 4-amino-N-propylbenzenesulfinamide is CCCNS(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-propylbenzenesulfinamide?
The InChIKey is AHBOTWCGMXLLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-7-11-13(12)9-5-3-8(10)4-6-9/h3-6,11H,2,7,10H2,1H3.
What are the key properties of 4-amino-N-propylbenzenesulfinamide?
4-amino-N-propylbenzenesulfinamide has a molecular weight of 198.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propylbenzenesulfinamide is sourced from PubChem (CID 82469313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).