N-methyl-N-[[(3R)-oxan-3-yl]methyl]thieno[3,2-c]pyridin-4-amine

C14H18N2OS — CID 164631910

IUPACN-methyl-N-[[(3R)-oxan-3-yl]methyl]thieno[3,2-c]pyridin-4-amine
SMILESCN(C[C@H]1CCCOC1)c1nccc2sccc12
InChIInChI=1S/C14H18N2OS/c1-16(9-11-3-2-7-17-10-11)14-12-5-8-18-13(12)4-6-15-14/h4-6,8,11H,2-3,7,9-10H2,1H3/t11-/m1/s1
InChIKeyPEOWTVSDCSDRMU-LLVKDONJSA-N
MW262.38 g/mol
LogP3.16
Rot. Bonds3

About N-methyl-N-[[(3R)-oxan-3-yl]methyl]thieno[3,2-c]pyridin-4-amine

N-methyl-N-[[(3R)-oxan-3-yl]methyl]thieno[3,2-c]pyridin-4-amine (PubChem CID 164631910) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-methyl-N-[[(3R)-oxan-3-yl]methyl]thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[[(3R)-oxan-3-yl]methyl]thieno[3,2-c]pyridin-4-amine
PubChem CID164631910
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-methyl-N-[[(3R)-oxan-3-yl]methyl]thieno[3,2-c]pyridin-4-amine
SMILESCN(C[C@H]1CCCOC1)c1nccc2sccc12
InChIInChI=1S/C14H18N2OS/c1-16(9-11-3-2-7-17-10-11)14-12-5-8-18-13(12)4-6-15-14/h4-6,8,11H,2-3,7,9-10H2,1H3/t11-/m1/s1
InChIKeyPEOWTVSDCSDRMU-LLVKDONJSA-N
XLogP3.16
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(3R)-oxan-3-yl]methyl]thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-methyl-N-[[(3R)-oxan-3-yl]methyl]thieno[3,2-c]pyridin-4-amine (CID 164631910) is N-methyl-N-[[(3R)-oxan-3-yl]methyl]thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-methyl-N-[[(3R)-oxan-3-yl]methyl]thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-methyl-N-[[(3R)-oxan-3-yl]methyl]thieno[3,2-c]pyridin-4-amine is CN(C[C@H]1CCCOC1)c1nccc2sccc12.
What is the InChIKey of N-methyl-N-[[(3R)-oxan-3-yl]methyl]thieno[3,2-c]pyridin-4-amine?
The InChIKey is PEOWTVSDCSDRMU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-16(9-11-3-2-7-17-10-11)14-12-5-8-18-13(12)4-6-15-14/h4-6,8,11H,2-3,7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of N-methyl-N-[[(3R)-oxan-3-yl]methyl]thieno[3,2-c]pyridin-4-amine?
N-methyl-N-[[(3R)-oxan-3-yl]methyl]thieno[3,2-c]pyridin-4-amine has a molecular weight of 262.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(3R)-oxan-3-yl]methyl]thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 164631910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).