[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thiolan-2-yl]methanamine

C14H22N2OS — CID 83173757

IUPAC[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thiolan-2-yl]methanamine
SMILESCOc1c(C)cnc(CC2(CN)CCCS2)c1C
InChIInChI=1S/C14H22N2OS/c1-10-8-16-12(11(2)13(10)17-3)7-14(9-15)5-4-6-18-14/h8H,4-7,9,15H2,1-3H3
InChIKeyOJBJJRGIHJHRDL-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.47
Rot. Bonds4

About [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thiolan-2-yl]methanamine

[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thiolan-2-yl]methanamine (PubChem CID 83173757) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thiolan-2-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thiolan-2-yl]methanamine
PubChem CID83173757
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thiolan-2-yl]methanamine
SMILESCOc1c(C)cnc(CC2(CN)CCCS2)c1C
InChIInChI=1S/C14H22N2OS/c1-10-8-16-12(11(2)13(10)17-3)7-14(9-15)5-4-6-18-14/h8H,4-7,9,15H2,1-3H3
InChIKeyOJBJJRGIHJHRDL-UHFFFAOYSA-N
XLogP2.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thiolan-2-yl]methanamine?
The IUPAC name of [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thiolan-2-yl]methanamine (CID 83173757) is [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thiolan-2-yl]methanamine.
What is the SMILES notation for [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thiolan-2-yl]methanamine?
The canonical SMILES for [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thiolan-2-yl]methanamine is COc1c(C)cnc(CC2(CN)CCCS2)c1C.
What is the InChIKey of [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thiolan-2-yl]methanamine?
The InChIKey is OJBJJRGIHJHRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10-8-16-12(11(2)13(10)17-3)7-14(9-15)5-4-6-18-14/h8H,4-7,9,15H2,1-3H3.
What are the key properties of [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thiolan-2-yl]methanamine?
[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thiolan-2-yl]methanamine has a molecular weight of 266.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thiolan-2-yl]methanamine is sourced from PubChem (CID 83173757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).