N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-morpholin-2-ylmethanamine

C12H20N2OS — CID 78945054

IUPACN-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-morpholin-2-ylmethanamine
SMILESCc1ccc(CN(C)CC2CNCCO2)s1
InChIInChI=1S/C12H20N2OS/c1-10-3-4-12(16-10)9-14(2)8-11-7-13-5-6-15-11/h3-4,11,13H,5-9H2,1-2H3
InChIKeySCLABOXUSGRYSG-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.48
Rot. Bonds4

About N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-morpholin-2-ylmethanamine

N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-morpholin-2-ylmethanamine (PubChem CID 78945054) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-morpholin-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-morpholin-2-ylmethanamine
PubChem CID78945054
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-morpholin-2-ylmethanamine
SMILESCc1ccc(CN(C)CC2CNCCO2)s1
InChIInChI=1S/C12H20N2OS/c1-10-3-4-12(16-10)9-14(2)8-11-7-13-5-6-15-11/h3-4,11,13H,5-9H2,1-2H3
InChIKeySCLABOXUSGRYSG-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-morpholin-2-ylmethanamine?
The IUPAC name of N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-morpholin-2-ylmethanamine (CID 78945054) is N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-morpholin-2-ylmethanamine.
What is the SMILES notation for N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-morpholin-2-ylmethanamine?
The canonical SMILES for N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-morpholin-2-ylmethanamine is Cc1ccc(CN(C)CC2CNCCO2)s1.
What is the InChIKey of N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-morpholin-2-ylmethanamine?
The InChIKey is SCLABOXUSGRYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10-3-4-12(16-10)9-14(2)8-11-7-13-5-6-15-11/h3-4,11,13H,5-9H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-morpholin-2-ylmethanamine?
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-morpholin-2-ylmethanamine has a molecular weight of 240.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-morpholin-2-ylmethanamine is sourced from PubChem (CID 78945054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).