5-[(2-methylphenyl)methylsulfinyl]pentan-2-amine

C13H21NOS — CID 64659388

IUPAC5-[(2-methylphenyl)methylsulfinyl]pentan-2-amine
SMILESCc1ccccc1CS(=O)CCCC(C)N
InChIInChI=1S/C13H21NOS/c1-11-6-3-4-8-13(11)10-16(15)9-5-7-12(2)14/h3-4,6,8,12H,5,7,9-10,14H2,1-2H3
InChIKeyOVQBDRNNANMNHV-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.37
Rot. Bonds6

About 5-[(2-methylphenyl)methylsulfinyl]pentan-2-amine

5-[(2-methylphenyl)methylsulfinyl]pentan-2-amine (PubChem CID 64659388) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methylsulfinyl]pentan-2-amine.

Molecular Properties

Compound Name5-[(2-methylphenyl)methylsulfinyl]pentan-2-amine
PubChem CID64659388
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name5-[(2-methylphenyl)methylsulfinyl]pentan-2-amine
SMILESCc1ccccc1CS(=O)CCCC(C)N
InChIInChI=1S/C13H21NOS/c1-11-6-3-4-8-13(11)10-16(15)9-5-7-12(2)14/h3-4,6,8,12H,5,7,9-10,14H2,1-2H3
InChIKeyOVQBDRNNANMNHV-UHFFFAOYSA-N
XLogP2.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methylphenyl)methylsulfinyl]propan-2-amine
CID 64659194
2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 62769461
1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene
CID 91641452
5-[(4-chlorophenyl)methylsulfinyl]pentan-2-amine
CID 114792170
2-amino-3-[(2-methylphenyl)methylsulfinyl]propanoic acid
CID 65475968
6-[(2-methylphenyl)methylsulfanyl]hexan-2-amine
CID 64634604
2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine
CID 112741759
1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 64659193
2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine
CID 79581971
[4-[2-[(2-methylphenyl)methylsulfinyl]ethoxy]phenyl]methanamine
CID 81333734
N-methyl-1-[(2-methylphenyl)methylsulfinyl]pentan-2-amine
CID 64659977
N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
CID 64658220

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methylsulfinyl]pentan-2-amine?
The IUPAC name of 5-[(2-methylphenyl)methylsulfinyl]pentan-2-amine (CID 64659388) is 5-[(2-methylphenyl)methylsulfinyl]pentan-2-amine.
What is the SMILES notation for 5-[(2-methylphenyl)methylsulfinyl]pentan-2-amine?
The canonical SMILES for 5-[(2-methylphenyl)methylsulfinyl]pentan-2-amine is Cc1ccccc1CS(=O)CCCC(C)N.
What is the InChIKey of 5-[(2-methylphenyl)methylsulfinyl]pentan-2-amine?
The InChIKey is OVQBDRNNANMNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-11-6-3-4-8-13(11)10-16(15)9-5-7-12(2)14/h3-4,6,8,12H,5,7,9-10,14H2,1-2H3.
What are the key properties of 5-[(2-methylphenyl)methylsulfinyl]pentan-2-amine?
5-[(2-methylphenyl)methylsulfinyl]pentan-2-amine has a molecular weight of 239.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methylsulfinyl]pentan-2-amine is sourced from PubChem (CID 64659388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).