N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine

C13H21NOS — CID 64658220

IUPACN-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
SMILESCCC(CS(=O)Cc1ccccc1C)NC
InChIInChI=1S/C13H21NOS/c1-4-13(14-3)10-16(15)9-12-8-6-5-7-11(12)2/h5-8,13-14H,4,9-10H2,1-3H3
InChIKeyPIUBXAPFVANCDI-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.24
Rot. Bonds6

About N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine

N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine (PubChem CID 64658220) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
PubChem CID64658220
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
SMILESCCC(CS(=O)Cc1ccccc1C)NC
InChIInChI=1S/C13H21NOS/c1-4-13(14-3)10-16(15)9-12-8-6-5-7-11(12)2/h5-8,13-14H,4,9-10H2,1-3H3
InChIKeyPIUBXAPFVANCDI-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[(2-methylphenyl)methylsulfinyl]pentan-2-amine
CID 64659977
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)butan-2-amine
CID 60820425
N-methyl-1-(2-methylphenyl)sulfinylbutan-2-amine
CID 64657190
1-[(2-methylphenyl)methylsulfinyl]propan-2-amine
CID 64659194
N-ethyl-3,3-dimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
CID 64659390
2-amino-3-[(2-methylphenyl)methylsulfinyl]propanoic acid
CID 65475968
2-acetamido-3-[(2-methylphenyl)methylsulfinyl]propanoic acid
CID 64583534
2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 62769461
1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 64659193
ethane;2-[2-(2-methylhydrazinyl)butylsulfinylmethyl]benzonitrile;propanal
CID 142227488

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine?
The IUPAC name of N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine (CID 64658220) is N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine.
What is the SMILES notation for N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine?
The canonical SMILES for N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine is CCC(CS(=O)Cc1ccccc1C)NC.
What is the InChIKey of N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine?
The InChIKey is PIUBXAPFVANCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-4-13(14-3)10-16(15)9-12-8-6-5-7-11(12)2/h5-8,13-14H,4,9-10H2,1-3H3.
What are the key properties of N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine?
N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine has a molecular weight of 239.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine is sourced from PubChem (CID 64658220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).