5-[(dimethylamino)methyl]-N-methyl-2-methylsulfanylaniline

C11H18N2S — CID 142898603

IUPAC5-[(dimethylamino)methyl]-N-methyl-2-methylsulfanylaniline
SMILESCNc1cc(CN(C)C)ccc1SC
InChIInChI=1S/C11H18N2S/c1-12-10-7-9(8-13(2)3)5-6-11(10)14-4/h5-7,12H,8H2,1-4H3
InChIKeyGMWLJBNMSAJWJG-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.51
Rot. Bonds4

About 5-[(dimethylamino)methyl]-N-methyl-2-methylsulfanylaniline

5-[(dimethylamino)methyl]-N-methyl-2-methylsulfanylaniline (PubChem CID 142898603) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-N-methyl-2-methylsulfanylaniline.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-N-methyl-2-methylsulfanylaniline
PubChem CID142898603
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name5-[(dimethylamino)methyl]-N-methyl-2-methylsulfanylaniline
SMILESCNc1cc(CN(C)C)ccc1SC
InChIInChI=1S/C11H18N2S/c1-12-10-7-9(8-13(2)3)5-6-11(10)14-4/h5-7,12H,8H2,1-4H3
InChIKeyGMWLJBNMSAJWJG-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-N-methyl-2-methylsulfanylaniline?
The IUPAC name of 5-[(dimethylamino)methyl]-N-methyl-2-methylsulfanylaniline (CID 142898603) is 5-[(dimethylamino)methyl]-N-methyl-2-methylsulfanylaniline.
What is the SMILES notation for 5-[(dimethylamino)methyl]-N-methyl-2-methylsulfanylaniline?
The canonical SMILES for 5-[(dimethylamino)methyl]-N-methyl-2-methylsulfanylaniline is CNc1cc(CN(C)C)ccc1SC.
What is the InChIKey of 5-[(dimethylamino)methyl]-N-methyl-2-methylsulfanylaniline?
The InChIKey is GMWLJBNMSAJWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-12-10-7-9(8-13(2)3)5-6-11(10)14-4/h5-7,12H,8H2,1-4H3.
What are the key properties of 5-[(dimethylamino)methyl]-N-methyl-2-methylsulfanylaniline?
5-[(dimethylamino)methyl]-N-methyl-2-methylsulfanylaniline has a molecular weight of 210.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-N-methyl-2-methylsulfanylaniline is sourced from PubChem (CID 142898603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).