1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene

C17H20OS — CID 91641452

IUPAC1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene
SMILESCc1ccccc1CS(=O)CCCc1ccccc1
InChIInChI=1S/C17H20OS/c1-15-8-5-6-12-17(15)14-19(18)13-7-11-16-9-3-2-4-10-16/h2-6,8-10,12H,7,11,13-14H2,1H3
InChIKeyRIECMOSGTKCIGN-UHFFFAOYSA-N
MW272.41 g/mol
LogP3.88
Rot. Bonds6

About 1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene

1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene (PubChem CID 91641452) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene.

Molecular Properties

Compound Name1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene
PubChem CID91641452
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene
SMILESCc1ccccc1CS(=O)CCCc1ccccc1
InChIInChI=1S/C17H20OS/c1-15-8-5-6-12-17(15)14-19(18)13-7-11-16-9-3-2-4-10-16/h2-6,8-10,12H,7,11,13-14H2,1H3
InChIKeyRIECMOSGTKCIGN-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 62769461
5-[(2-methylphenyl)methylsulfinyl]pentan-2-amine
CID 64659388
4-(4-phenylbutylsulfinyl)butylbenzene
CID 66797089
2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine
CID 112741759
1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene
CID 47022745
1-[(3-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene
CID 51113106
2,2-dimethyl-3-[(2-methylphenyl)methylsulfinyl]propanoic acid
CID 79620791
[4-[2-[(2-methylphenyl)methylsulfinyl]ethoxy]phenyl]methanamine
CID 81333734
1-[(2-methylphenyl)methylsulfinyl]propan-2-amine
CID 64659194
2-methyl-3-(3-phenylpropylsulfinyl)propan-1-amine
CID 81201119
2-amino-3-[(2-methylphenyl)methylsulfinyl]propanoic acid
CID 65475968
4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid
CID 138459303

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene?
The IUPAC name of 1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene (CID 91641452) is 1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene.
What is the SMILES notation for 1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene?
The canonical SMILES for 1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene is Cc1ccccc1CS(=O)CCCc1ccccc1.
What is the InChIKey of 1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene?
The InChIKey is RIECMOSGTKCIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c1-15-8-5-6-12-17(15)14-19(18)13-7-11-16-9-3-2-4-10-16/h2-6,8-10,12H,7,11,13-14H2,1H3.
What are the key properties of 1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene?
1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene has a molecular weight of 272.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-phenylpropylsulfinylmethyl)benzene is sourced from PubChem (CID 91641452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).