4-N-(2-methylsulfinylpropyl)benzene-1,2,4-triamine

C10H17N3OS — CID 106751170

IUPAC4-N-(2-methylsulfinylpropyl)benzene-1,2,4-triamine
SMILESCC(CNc1ccc(N)c(N)c1)S(C)=O
InChIInChI=1S/C10H17N3OS/c1-7(15(2)14)6-13-8-3-4-9(11)10(12)5-8/h3-5,7,13H,6,11-12H2,1-2H3
InChIKeyWVINJUHXUVYDEN-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.03
Rot. Bonds4

About 4-N-(2-methylsulfinylpropyl)benzene-1,2,4-triamine

4-N-(2-methylsulfinylpropyl)benzene-1,2,4-triamine (PubChem CID 106751170) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-N-(2-methylsulfinylpropyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-(2-methylsulfinylpropyl)benzene-1,2,4-triamine
PubChem CID106751170
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-N-(2-methylsulfinylpropyl)benzene-1,2,4-triamine
SMILESCC(CNc1ccc(N)c(N)c1)S(C)=O
InChIInChI=1S/C10H17N3OS/c1-7(15(2)14)6-13-8-3-4-9(11)10(12)5-8/h3-5,7,13H,6,11-12H2,1-2H3
InChIKeyWVINJUHXUVYDEN-UHFFFAOYSA-N
XLogP1.03
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-N-(2-methylsulfinylpropyl)benzene-1,4-diamine
CID 113483988
4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine
CID 106750890
3-iodo-N-(2-methylsulfinylpropyl)-4-nitroaniline
CID 103846785
1-(3,4-diaminoanilino)pentan-2-ol
CID 106751189
2-amino-5-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
CID 113483973
5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile
CID 115764283
3-fluoro-N-(2-methylsulfinylpropyl)-5-nitroaniline
CID 113484183
1-[2-amino-5-(2-methylpropylamino)phenyl]ethanone
CID 104612186
4-N-[2-(2-methylpropoxy)ethyl]benzene-1,2,4-triamine
CID 106751223
5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile
CID 103469139
2-amino-5-(2,3-dimethylbutylamino)benzoic acid
CID 64598673
4-N-(3-phenylbutyl)benzene-1,2,4-triamine
CID 106750765

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylsulfinylpropyl)benzene-1,2,4-triamine?
The IUPAC name of 4-N-(2-methylsulfinylpropyl)benzene-1,2,4-triamine (CID 106751170) is 4-N-(2-methylsulfinylpropyl)benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-(2-methylsulfinylpropyl)benzene-1,2,4-triamine?
The canonical SMILES for 4-N-(2-methylsulfinylpropyl)benzene-1,2,4-triamine is CC(CNc1ccc(N)c(N)c1)S(C)=O.
What is the InChIKey of 4-N-(2-methylsulfinylpropyl)benzene-1,2,4-triamine?
The InChIKey is WVINJUHXUVYDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(15(2)14)6-13-8-3-4-9(11)10(12)5-8/h3-5,7,13H,6,11-12H2,1-2H3.
What are the key properties of 4-N-(2-methylsulfinylpropyl)benzene-1,2,4-triamine?
4-N-(2-methylsulfinylpropyl)benzene-1,2,4-triamine has a molecular weight of 227.33 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylsulfinylpropyl)benzene-1,2,4-triamine is sourced from PubChem (CID 106751170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).