1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol

C11H18N2OS — CID 106243794

IUPAC1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1ccccc1N
InChIInChI=1S/C11H18N2OS/c1-11(14,8-15-2)7-13-10-6-4-3-5-9(10)12/h3-6,13-14H,7-8,12H2,1-2H3
InChIKeyHPDSIBGJZDIWLD-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.79
Rot. Bonds5

About 1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol

1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106243794) has the molecular formula C11H18N2OS and a molecular weight of 226.35 g/mol. Its IUPAC name is 1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106243794
Molecular FormulaC11H18N2OS
Molecular Weight226.35 g/mol
Exact Mass226.11
IUPAC Name1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1ccccc1N
InChIInChI=1S/C11H18N2OS/c1-11(14,8-15-2)7-13-10-6-4-3-5-9(10)12/h3-6,13-14H,7-8,12H2,1-2H3
InChIKeyHPDSIBGJZDIWLD-UHFFFAOYSA-N
XLogP1.79
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol (CID 106243794) is 1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNc1ccccc1N.
What is the InChIKey of 1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is HPDSIBGJZDIWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-11(14,8-15-2)7-13-10-6-4-3-5-9(10)12/h3-6,13-14H,7-8,12H2,1-2H3.
What are the key properties of 1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol?
1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 226.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106243794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).