[4-[(2-methylphenyl)sulfinylmethyl]phenyl]methanamine

C15H17NOS — CID 81328972

IUPAC[4-[(2-methylphenyl)sulfinylmethyl]phenyl]methanamine
SMILESCc1ccccc1S(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C15H17NOS/c1-12-4-2-3-5-15(12)18(17)11-14-8-6-13(10-16)7-9-14/h2-9H,10-11,16H2,1H3
InChIKeyBYPGZVCTXDASAG-UHFFFAOYSA-N
MW259.37 g/mol
LogP2.76
Rot. Bonds4

About [4-[(2-methylphenyl)sulfinylmethyl]phenyl]methanamine

[4-[(2-methylphenyl)sulfinylmethyl]phenyl]methanamine (PubChem CID 81328972) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is [4-[(2-methylphenyl)sulfinylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(2-methylphenyl)sulfinylmethyl]phenyl]methanamine
PubChem CID81328972
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name[4-[(2-methylphenyl)sulfinylmethyl]phenyl]methanamine
SMILESCc1ccccc1S(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C15H17NOS/c1-12-4-2-3-5-15(12)18(17)11-14-8-6-13(10-16)7-9-14/h2-9H,10-11,16H2,1H3
InChIKeyBYPGZVCTXDASAG-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylphenyl)sulfinylmethyl]phenyl]methanamine?
The IUPAC name of [4-[(2-methylphenyl)sulfinylmethyl]phenyl]methanamine (CID 81328972) is [4-[(2-methylphenyl)sulfinylmethyl]phenyl]methanamine.
What is the SMILES notation for [4-[(2-methylphenyl)sulfinylmethyl]phenyl]methanamine?
The canonical SMILES for [4-[(2-methylphenyl)sulfinylmethyl]phenyl]methanamine is Cc1ccccc1S(=O)Cc1ccc(CN)cc1.
What is the InChIKey of [4-[(2-methylphenyl)sulfinylmethyl]phenyl]methanamine?
The InChIKey is BYPGZVCTXDASAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-12-4-2-3-5-15(12)18(17)11-14-8-6-13(10-16)7-9-14/h2-9H,10-11,16H2,1H3.
What are the key properties of [4-[(2-methylphenyl)sulfinylmethyl]phenyl]methanamine?
[4-[(2-methylphenyl)sulfinylmethyl]phenyl]methanamine has a molecular weight of 259.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylphenyl)sulfinylmethyl]phenyl]methanamine is sourced from PubChem (CID 81328972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).