1-[6-[(dimethylamino)methyl]-4-methylidenethiopyran-2-yl]-N,N-dimethylmethanamine

C12H20N2S — CID 20690185

IUPAC1-[6-[(dimethylamino)methyl]-4-methylidenethiopyran-2-yl]-N,N-dimethylmethanamine
SMILESC=C1C=C(CN(C)C)SC(CN(C)C)=C1
InChIInChI=1S/C12H20N2S/c1-10-6-11(8-13(2)3)15-12(7-10)9-14(4)5/h6-7H,1,8-9H2,2-5H3
InChIKeySOCLGAMZQVMHKS-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.18
Rot. Bonds4

About 1-[6-[(dimethylamino)methyl]-4-methylidenethiopyran-2-yl]-N,N-dimethylmethanamine

1-[6-[(dimethylamino)methyl]-4-methylidenethiopyran-2-yl]-N,N-dimethylmethanamine (PubChem CID 20690185) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-[6-[(dimethylamino)methyl]-4-methylidenethiopyran-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[6-[(dimethylamino)methyl]-4-methylidenethiopyran-2-yl]-N,N-dimethylmethanamine
PubChem CID20690185
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-[6-[(dimethylamino)methyl]-4-methylidenethiopyran-2-yl]-N,N-dimethylmethanamine
SMILESC=C1C=C(CN(C)C)SC(CN(C)C)=C1
InChIInChI=1S/C12H20N2S/c1-10-6-11(8-13(2)3)15-12(7-10)9-14(4)5/h6-7H,1,8-9H2,2-5H3
InChIKeySOCLGAMZQVMHKS-UHFFFAOYSA-N
XLogP2.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(dimethylamino)methyl]-4-methylidenethiopyran-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[6-[(dimethylamino)methyl]-4-methylidenethiopyran-2-yl]-N,N-dimethylmethanamine (CID 20690185) is 1-[6-[(dimethylamino)methyl]-4-methylidenethiopyran-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[6-[(dimethylamino)methyl]-4-methylidenethiopyran-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[6-[(dimethylamino)methyl]-4-methylidenethiopyran-2-yl]-N,N-dimethylmethanamine is C=C1C=C(CN(C)C)SC(CN(C)C)=C1.
What is the InChIKey of 1-[6-[(dimethylamino)methyl]-4-methylidenethiopyran-2-yl]-N,N-dimethylmethanamine?
The InChIKey is SOCLGAMZQVMHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10-6-11(8-13(2)3)15-12(7-10)9-14(4)5/h6-7H,1,8-9H2,2-5H3.
What are the key properties of 1-[6-[(dimethylamino)methyl]-4-methylidenethiopyran-2-yl]-N,N-dimethylmethanamine?
1-[6-[(dimethylamino)methyl]-4-methylidenethiopyran-2-yl]-N,N-dimethylmethanamine has a molecular weight of 224.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(dimethylamino)methyl]-4-methylidenethiopyran-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 20690185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).