4-(dipropylamino)benzenesulfinic acid

C12H19NO2S — CID 155424665

IUPAC4-(dipropylamino)benzenesulfinic acid
SMILESCCCN(CCC)c1ccc(S(=O)O)cc1
InChIInChI=1S/C12H19NO2S/c1-3-9-13(10-4-2)11-5-7-12(8-6-11)16(14)15/h5-8H,3-4,9-10H2,1-2H3,(H,14,15)
InChIKeyXIIFZMPDUGUYCO-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.89
Rot. Bonds6

About 4-(dipropylamino)benzenesulfinic acid

4-(dipropylamino)benzenesulfinic acid (PubChem CID 155424665) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-(dipropylamino)benzenesulfinic acid.

Molecular Properties

Compound Name4-(dipropylamino)benzenesulfinic acid
PubChem CID155424665
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name4-(dipropylamino)benzenesulfinic acid
SMILESCCCN(CCC)c1ccc(S(=O)O)cc1
InChIInChI=1S/C12H19NO2S/c1-3-9-13(10-4-2)11-5-7-12(8-6-11)16(14)15/h5-8H,3-4,9-10H2,1-2H3,(H,14,15)
InChIKeyXIIFZMPDUGUYCO-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylamino)benzenesulfinic acid
CID 68861817
4-[[4-(dibutylamino)phenyl]diazenyl]benzenesulfinic acid
CID 89267555
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
ethane;4-methyl-N,N-dipropylaniline
CID 143993396
4-bromo-N,N-dipropylaniline
CID 10445113
2-(4-ethylsulfonyl-N-propylanilino)ethanol
CID 61425669
3-[4-(diethylamino)-N-propylanilino]propanoic acid
CID 82317732
N,N-dipropylaniline;ethane
CID 142135231
3-(N-propylanilino)propan-1-ol
CID 101291000
(E)-1-cyano-2-[4-(dipropylamino)phenyl]prop-1-ene-1-sulfinamide
CID 118401046
N-[4-(dipropylamino)phenyl]-2-methylpropanamide
CID 112985613

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)benzenesulfinic acid?
The IUPAC name of 4-(dipropylamino)benzenesulfinic acid (CID 155424665) is 4-(dipropylamino)benzenesulfinic acid.
What is the SMILES notation for 4-(dipropylamino)benzenesulfinic acid?
The canonical SMILES for 4-(dipropylamino)benzenesulfinic acid is CCCN(CCC)c1ccc(S(=O)O)cc1.
What is the InChIKey of 4-(dipropylamino)benzenesulfinic acid?
The InChIKey is XIIFZMPDUGUYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-9-13(10-4-2)11-5-7-12(8-6-11)16(14)15/h5-8H,3-4,9-10H2,1-2H3,(H,14,15).
What are the key properties of 4-(dipropylamino)benzenesulfinic acid?
4-(dipropylamino)benzenesulfinic acid has a molecular weight of 241.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)benzenesulfinic acid is sourced from PubChem (CID 155424665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).