2-methyl-N-[[2-methyl-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine

C15H25NO2S2 — CID 63805699

IUPAC2-methyl-N-[[2-methyl-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCc1cc(SCCS(C)(=O)=O)ccc1CNC(C)(C)C
InChIInChI=1S/C15H25NO2S2/c1-12-10-14(19-8-9-20(5,17)18)7-6-13(12)11-16-15(2,3)4/h6-7,10,16H,8-9,11H2,1-5H3
InChIKeyMXILVLNZMQXNJC-UHFFFAOYSA-N
MW315.50 g/mol
LogP3.02
Rot. Bonds6

About 2-methyl-N-[[2-methyl-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine

2-methyl-N-[[2-methyl-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine (PubChem CID 63805699) has the molecular formula C15H25NO2S2 and a molecular weight of 315.50 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine
PubChem CID63805699
Molecular FormulaC15H25NO2S2
Molecular Weight315.50 g/mol
Exact Mass315.13
IUPAC Name2-methyl-N-[[2-methyl-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCc1cc(SCCS(C)(=O)=O)ccc1CNC(C)(C)C
InChIInChI=1S/C15H25NO2S2/c1-12-10-14(19-8-9-20(5,17)18)7-6-13(12)11-16-15(2,3)4/h6-7,10,16H,8-9,11H2,1-5H3
InChIKeyMXILVLNZMQXNJC-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-methyl-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine (CID 63805699) is 2-methyl-N-[[2-methyl-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine is Cc1cc(SCCS(C)(=O)=O)ccc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-methyl-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine?
The InChIKey is MXILVLNZMQXNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S2/c1-12-10-14(19-8-9-20(5,17)18)7-6-13(12)11-16-15(2,3)4/h6-7,10,16H,8-9,11H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-methyl-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine?
2-methyl-N-[[2-methyl-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine has a molecular weight of 315.50 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-methyl-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63805699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).