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

C17H19ClN2OS — CID 10382273

IUPAC(3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine;hydrochloride
SMILESCNCC[C@H](Oc1ccnc2ccsc12)c1ccccc1.Cl
InChIInChI=1S/C17H18N2OS.ClH/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;1H/t15-;/m0./s1
InChIKeyPYPVTLZUTLZOQT-RSAXXLAASA-N
MW334.87 g/mol
LogP4.45
Rot. Bonds6

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

(3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine;hydrochloride (PubChem CID 10382273) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is (3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine;hydrochloride
PubChem CID10382273
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name(3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine;hydrochloride
SMILESCNCC[C@H](Oc1ccnc2ccsc12)c1ccccc1.Cl
InChIInChI=1S/C17H18N2OS.ClH/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;1H/t15-;/m0./s1
InChIKeyPYPVTLZUTLZOQT-RSAXXLAASA-N
XLogP4.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 54.45
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;hydrochloride?
The IUPAC name of (3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine;hydrochloride (CID 10382273) is (3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine;hydrochloride.
What is the SMILES notation for (3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine;hydrochloride?
The canonical SMILES for (3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine;hydrochloride is CNCC[C@H](Oc1ccnc2ccsc12)c1ccccc1.Cl.
What is the InChIKey of (3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine;hydrochloride?
The InChIKey is PYPVTLZUTLZOQT-RSAXXLAASA-N. The full InChI is InChI=1S/C17H18N2OS.ClH/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;1H/t15-;/m0./s1.
What are the key properties of (3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine;hydrochloride?
(3S)-N-methyl-3-phenyl-3-thieno[3,2-b]pyridin-7-yloxypropan-1-amine;hydrochloride has a molecular weight of 334.87 g/mol, XLogP of 4.45, 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;hydrochloride is sourced from PubChem (CID 10382273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).