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

C14H23NOS — CID 64659977

IUPACN-methyl-1-[(2-methylphenyl)methylsulfinyl]pentan-2-amine
SMILESCCCC(CS(=O)Cc1ccccc1C)NC
InChIInChI=1S/C14H23NOS/c1-4-7-14(15-3)11-17(16)10-13-9-6-5-8-12(13)2/h5-6,8-9,14-15H,4,7,10-11H2,1-3H3
InChIKeyQDJDZTHQUSZBPV-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.63
Rot. Bonds7

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

N-methyl-1-[(2-methylphenyl)methylsulfinyl]pentan-2-amine (PubChem CID 64659977) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-methyl-1-[(2-methylphenyl)methylsulfinyl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[(2-methylphenyl)methylsulfinyl]pentan-2-amine
PubChem CID64659977
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-methyl-1-[(2-methylphenyl)methylsulfinyl]pentan-2-amine
SMILESCCCC(CS(=O)Cc1ccccc1C)NC
InChIInChI=1S/C14H23NOS/c1-4-7-14(15-3)11-17(16)10-13-9-6-5-8-12(13)2/h5-6,8-9,14-15H,4,7,10-11H2,1-3H3
InChIKeyQDJDZTHQUSZBPV-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
CID 64658220
N-methyl-2-[(2-methylphenyl)methylsulfinyl]-1-phenylethanamine
CID 64659975
N,3,3-trimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
CID 64658019
1-[(2-methylphenyl)methylsulfinyl]propan-2-amine
CID 64659194
N-ethyl-3,3-dimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
CID 64659390
4-benzylsulfinyl-3-(methylamino)butan-1-ol
CID 64898646
2-amino-3-[(2-methylphenyl)methylsulfinyl]propanoic acid
CID 65475968
2-acetamido-3-[(2-methylphenyl)methylsulfinyl]propanoic acid
CID 64583534
N-methyl-1-(2-methylphenyl)butan-2-amine
CID 60820425
N-[2-(2-methylphenyl)ethyl]heptan-4-amine
CID 79762422
N-methyl-1-(2-methylphenyl)octan-2-amine
CID 62605223
N-methyl-1-(2-methylphenyl)octan-3-amine
CID 105129664

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2-methylphenyl)methylsulfinyl]pentan-2-amine?
The IUPAC name of N-methyl-1-[(2-methylphenyl)methylsulfinyl]pentan-2-amine (CID 64659977) is N-methyl-1-[(2-methylphenyl)methylsulfinyl]pentan-2-amine.
What is the SMILES notation for N-methyl-1-[(2-methylphenyl)methylsulfinyl]pentan-2-amine?
The canonical SMILES for N-methyl-1-[(2-methylphenyl)methylsulfinyl]pentan-2-amine is CCCC(CS(=O)Cc1ccccc1C)NC.
What is the InChIKey of N-methyl-1-[(2-methylphenyl)methylsulfinyl]pentan-2-amine?
The InChIKey is QDJDZTHQUSZBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-4-7-14(15-3)11-17(16)10-13-9-6-5-8-12(13)2/h5-6,8-9,14-15H,4,7,10-11H2,1-3H3.
What are the key properties of N-methyl-1-[(2-methylphenyl)methylsulfinyl]pentan-2-amine?
N-methyl-1-[(2-methylphenyl)methylsulfinyl]pentan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.63, 7 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]pentan-2-amine is sourced from PubChem (CID 64659977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).