1-[(2-methylphenyl)methylsulfinyl]propan-2-amine

C11H17NOS — CID 64659194

IUPAC1-[(2-methylphenyl)methylsulfinyl]propan-2-amine
SMILESCc1ccccc1CS(=O)CC(C)N
InChIInChI=1S/C11H17NOS/c1-9-5-3-4-6-11(9)8-14(13)7-10(2)12/h3-6,10H,7-8,12H2,1-2H3
InChIKeyJNZONTMWAPGTOY-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.59
Rot. Bonds4

About 1-[(2-methylphenyl)methylsulfinyl]propan-2-amine

1-[(2-methylphenyl)methylsulfinyl]propan-2-amine (PubChem CID 64659194) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methylsulfinyl]propan-2-amine.

Molecular Properties

Compound Name1-[(2-methylphenyl)methylsulfinyl]propan-2-amine
PubChem CID64659194
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-[(2-methylphenyl)methylsulfinyl]propan-2-amine
SMILESCc1ccccc1CS(=O)CC(C)N
InChIInChI=1S/C11H17NOS/c1-9-5-3-4-6-11(9)8-14(13)7-10(2)12/h3-6,10H,7-8,12H2,1-2H3
InChIKeyJNZONTMWAPGTOY-UHFFFAOYSA-N
XLogP1.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[(2-methylphenyl)methylsulfinyl]propanoic acid
CID 65475968
5-[(2-methylphenyl)methylsulfinyl]pentan-2-amine
CID 64659388
1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 64659193
2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 62769461
N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
CID 64658220
N-ethyl-3,3-dimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
CID 64659390
1-[(2-methylquinolin-4-yl)methylsulfinyl]propan-2-amine
CID 81189782
N-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine
CID 64659975
N,3,3-trimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
CID 64658019
N-methyl-1-[(2-methylphenyl)methylsulfinyl]pentan-2-amine
CID 64659977
1-[(2-methoxy-3-pyridinyl)methylsulfinyl]propan-2-amine
CID 81188848
2-acetamido-3-[(2-methylphenyl)methylsulfinyl]propanoic acid
CID 64583534

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methylsulfinyl]propan-2-amine?
The IUPAC name of 1-[(2-methylphenyl)methylsulfinyl]propan-2-amine (CID 64659194) is 1-[(2-methylphenyl)methylsulfinyl]propan-2-amine.
What is the SMILES notation for 1-[(2-methylphenyl)methylsulfinyl]propan-2-amine?
The canonical SMILES for 1-[(2-methylphenyl)methylsulfinyl]propan-2-amine is Cc1ccccc1CS(=O)CC(C)N.
What is the InChIKey of 1-[(2-methylphenyl)methylsulfinyl]propan-2-amine?
The InChIKey is JNZONTMWAPGTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9-5-3-4-6-11(9)8-14(13)7-10(2)12/h3-6,10H,7-8,12H2,1-2H3.
What are the key properties of 1-[(2-methylphenyl)methylsulfinyl]propan-2-amine?
1-[(2-methylphenyl)methylsulfinyl]propan-2-amine has a molecular weight of 211.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methylsulfinyl]propan-2-amine is sourced from PubChem (CID 64659194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).