(3R)-3-(5-chlorothiophen-2-yl)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methylpropan-1-amine

C15H18ClN3S — CID 137452041

IUPAC(3R)-3-(5-chlorothiophen-2-yl)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methylpropan-1-amine
SMILESCNCC[C@H](c1ccc(Cl)s1)N1CCc2ncccc21
InChIInChI=1S/C15H18ClN3S/c1-17-9-6-13(14-4-5-15(16)20-14)19-10-7-11-12(19)3-2-8-18-11/h2-5,8,13,17H,6-7,9-10H2,1H3/t13-/m1/s1
InChIKeyJETCOWKNHCMYQI-CYBMUJFWSA-N
MW307.85 g/mol
LogP3.51
Rot. Bonds5

About (3R)-3-(5-chlorothiophen-2-yl)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methylpropan-1-amine

(3R)-3-(5-chlorothiophen-2-yl)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methylpropan-1-amine (PubChem CID 137452041) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is (3R)-3-(5-chlorothiophen-2-yl)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name(3R)-3-(5-chlorothiophen-2-yl)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methylpropan-1-amine
PubChem CID137452041
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name(3R)-3-(5-chlorothiophen-2-yl)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methylpropan-1-amine
SMILESCNCC[C@H](c1ccc(Cl)s1)N1CCc2ncccc21
InChIInChI=1S/C15H18ClN3S/c1-17-9-6-13(14-4-5-15(16)20-14)19-10-7-11-12(19)3-2-8-18-11/h2-5,8,13,17H,6-7,9-10H2,1H3/t13-/m1/s1
InChIKeyJETCOWKNHCMYQI-CYBMUJFWSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-chlorothiophen-2-yl)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methylpropan-1-amine?
The IUPAC name of (3R)-3-(5-chlorothiophen-2-yl)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methylpropan-1-amine (CID 137452041) is (3R)-3-(5-chlorothiophen-2-yl)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for (3R)-3-(5-chlorothiophen-2-yl)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for (3R)-3-(5-chlorothiophen-2-yl)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methylpropan-1-amine is CNCC[C@H](c1ccc(Cl)s1)N1CCc2ncccc21.
What is the InChIKey of (3R)-3-(5-chlorothiophen-2-yl)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methylpropan-1-amine?
The InChIKey is JETCOWKNHCMYQI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18ClN3S/c1-17-9-6-13(14-4-5-15(16)20-14)19-10-7-11-12(19)3-2-8-18-11/h2-5,8,13,17H,6-7,9-10H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-(5-chlorothiophen-2-yl)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methylpropan-1-amine?
(3R)-3-(5-chlorothiophen-2-yl)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methylpropan-1-amine has a molecular weight of 307.85 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-chlorothiophen-2-yl)-3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 137452041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).