N-methyl-4-(4-methylthiomorpholin-2-yl)aniline

C12H18N2S — CID 70934978

IUPACN-methyl-4-(4-methylthiomorpholin-2-yl)aniline
SMILESCNc1ccc(C2CN(C)CCS2)cc1
InChIInChI=1S/C12H18N2S/c1-13-11-5-3-10(4-6-11)12-9-14(2)7-8-15-12/h3-6,12-13H,7-9H2,1-2H3
InChIKeyFLDRKOUSEIGRSX-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.45
Rot. Bonds2

About N-methyl-4-(4-methylthiomorpholin-2-yl)aniline

N-methyl-4-(4-methylthiomorpholin-2-yl)aniline (PubChem CID 70934978) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-methyl-4-(4-methylthiomorpholin-2-yl)aniline.

Molecular Properties

Compound NameN-methyl-4-(4-methylthiomorpholin-2-yl)aniline
PubChem CID70934978
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-methyl-4-(4-methylthiomorpholin-2-yl)aniline
SMILESCNc1ccc(C2CN(C)CCS2)cc1
InChIInChI=1S/C12H18N2S/c1-13-11-5-3-10(4-6-11)12-9-14(2)7-8-15-12/h3-6,12-13H,7-9H2,1-2H3
InChIKeyFLDRKOUSEIGRSX-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylthiomorpholin-2-yl)aniline?
The IUPAC name of N-methyl-4-(4-methylthiomorpholin-2-yl)aniline (CID 70934978) is N-methyl-4-(4-methylthiomorpholin-2-yl)aniline.
What is the SMILES notation for N-methyl-4-(4-methylthiomorpholin-2-yl)aniline?
The canonical SMILES for N-methyl-4-(4-methylthiomorpholin-2-yl)aniline is CNc1ccc(C2CN(C)CCS2)cc1.
What is the InChIKey of N-methyl-4-(4-methylthiomorpholin-2-yl)aniline?
The InChIKey is FLDRKOUSEIGRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-13-11-5-3-10(4-6-11)12-9-14(2)7-8-15-12/h3-6,12-13H,7-9H2,1-2H3.
What are the key properties of N-methyl-4-(4-methylthiomorpholin-2-yl)aniline?
N-methyl-4-(4-methylthiomorpholin-2-yl)aniline has a molecular weight of 222.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylthiomorpholin-2-yl)aniline is sourced from PubChem (CID 70934978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).