2-(2-methylphenyl)sulfinylpentan-3-amine

C12H19NOS — CID 64655971

IUPAC2-(2-methylphenyl)sulfinylpentan-3-amine
SMILESCCC(N)C(C)S(=O)c1ccccc1C
InChIInChI=1S/C12H19NOS/c1-4-11(13)10(3)15(14)12-8-6-5-7-9(12)2/h5-8,10-11H,4,13H2,1-3H3
InChIKeyLILVKHOKAFNRFE-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.23
Rot. Bonds4

About 2-(2-methylphenyl)sulfinylpentan-3-amine

2-(2-methylphenyl)sulfinylpentan-3-amine (PubChem CID 64655971) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfinylpentan-3-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfinylpentan-3-amine
PubChem CID64655971
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-(2-methylphenyl)sulfinylpentan-3-amine
SMILESCCC(N)C(C)S(=O)c1ccccc1C
InChIInChI=1S/C12H19NOS/c1-4-11(13)10(3)15(14)12-8-6-5-7-9(12)2/h5-8,10-11H,4,13H2,1-3H3
InChIKeyLILVKHOKAFNRFE-UHFFFAOYSA-N
XLogP2.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-methylphenyl)sulfinylpentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine
CID 64656582
3-(2-methylphenyl)sulfinylheptan-4-amine
CID 64656787
2-(2-methylphenyl)sulfinylbutan-1-amine
CID 81329169
N-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine
CID 64704016
1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene
CID 163864796
3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine
CID 64655566
N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine
CID 64657190
3-(2,5-dimethylphenyl)sulfinylbutan-2-amine
CID 64657321
ethane;1-methyl-2-methylsulfinylbenzene
CID 143887984
N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 43295706
1-(2-methylphenyl)sulfinylbutan-2-one
CID 64641154
2-amino-N-[amino-(2-methylphenyl)-λ4-sulfanylidene]-4-methylpentanamide
CID 156791369

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfinylpentan-3-amine?
The IUPAC name of 2-(2-methylphenyl)sulfinylpentan-3-amine (CID 64655971) is 2-(2-methylphenyl)sulfinylpentan-3-amine.
What is the SMILES notation for 2-(2-methylphenyl)sulfinylpentan-3-amine?
The canonical SMILES for 2-(2-methylphenyl)sulfinylpentan-3-amine is CCC(N)C(C)S(=O)c1ccccc1C.
What is the InChIKey of 2-(2-methylphenyl)sulfinylpentan-3-amine?
The InChIKey is LILVKHOKAFNRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-4-11(13)10(3)15(14)12-8-6-5-7-9(12)2/h5-8,10-11H,4,13H2,1-3H3.
What are the key properties of 2-(2-methylphenyl)sulfinylpentan-3-amine?
2-(2-methylphenyl)sulfinylpentan-3-amine has a molecular weight of 225.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfinylpentan-3-amine is sourced from PubChem (CID 64655971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).