(3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine

C17H18N2OS — CID 10382274

IUPAC(3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine
SMILESCNCC[C@H](Oc1ccnc2ccsc12)c1ccccc1
InChIInChI=1S/C17H18N2OS/c1-18-10-7-15(13-5-3-2-4-6-13)20-16-8-11-19-14-9-12-21-17(14)16/h2-6,8-9,11-12,15,18H,7,10H2,1H3/t15-/m0/s1
InChIKeyZCSPLLZNJUQJSR-HNNXBMFYSA-N
MW298.41 g/mol
LogP4.03
Rot. Bonds6

About (3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine

(3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine (PubChem CID 10382274) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is (3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine.

Molecular Properties

Compound Name(3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine
PubChem CID10382274
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name(3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine
SMILESCNCC[C@H](Oc1ccnc2ccsc12)c1ccccc1
InChIInChI=1S/C17H18N2OS/c1-18-10-7-15(13-5-3-2-4-6-13)20-16-8-11-19-14-9-12-21-17(14)16/h2-6,8-9,11-12,15,18H,7,10H2,1H3/t15-/m0/s1
InChIKeyZCSPLLZNJUQJSR-HNNXBMFYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine?
The IUPAC name of (3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine (CID 10382274) is (3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine.
What is the SMILES notation for (3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine?
The canonical SMILES for (3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine is CNCC[C@H](Oc1ccnc2ccsc12)c1ccccc1.
What is the InChIKey of (3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine?
The InChIKey is ZCSPLLZNJUQJSR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-18-10-7-15(13-5-3-2-4-6-13)20-16-8-11-19-14-9-12-21-17(14)16/h2-6,8-9,11-12,15,18H,7,10H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine?
(3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine has a molecular weight of 298.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine is sourced from PubChem (CID 10382274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).