1-[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]-N-methylmethanamine

C14H18N2OS — CID 102926401

IUPAC1-[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(CSc2cc(C)cc(C)n2)o1
InChIInChI=1S/C14H18N2OS/c1-10-6-11(2)16-14(7-10)18-9-13-5-4-12(17-13)8-15-3/h4-7,15H,8-9H2,1-3H3
InChIKeyRGNVRESANNAGMP-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.30
Rot. Bonds5

About 1-[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]-N-methylmethanamine

1-[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]-N-methylmethanamine (PubChem CID 102926401) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]-N-methylmethanamine
PubChem CID102926401
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(CSc2cc(C)cc(C)n2)o1
InChIInChI=1S/C14H18N2OS/c1-10-6-11(2)16-14(7-10)18-9-13-5-4-12(17-13)8-15-3/h4-7,15H,8-9H2,1-3H3
InChIKeyRGNVRESANNAGMP-UHFFFAOYSA-N
XLogP3.30
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]-N-methylmethanamine (CID 102926401) is 1-[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]-N-methylmethanamine is CNCc1ccc(CSc2cc(C)cc(C)n2)o1.
What is the InChIKey of 1-[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]-N-methylmethanamine?
The InChIKey is RGNVRESANNAGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-6-11(2)16-14(7-10)18-9-13-5-4-12(17-13)8-15-3/h4-7,15H,8-9H2,1-3H3.
What are the key properties of 1-[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]-N-methylmethanamine?
1-[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]-N-methylmethanamine has a molecular weight of 262.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 102926401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).