2-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine

C14H16N2S — CID 28814954

IUPAC2-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
SMILESCSc1ccc(-c2cc3c([nH]2)CCNC3)cc1
InChIInChI=1S/C14H16N2S/c1-17-12-4-2-10(3-5-12)14-8-11-9-15-7-6-13(11)16-14/h2-5,8,15-16H,6-7,9H2,1H3
InChIKeyJVOGOQZMQHUBQW-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.05
Rot. Bonds2

About 2-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine

2-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine (PubChem CID 28814954) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
PubChem CID28814954
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name2-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
SMILESCSc1ccc(-c2cc3c([nH]2)CCNC3)cc1
InChIInChI=1S/C14H16N2S/c1-17-12-4-2-10(3-5-12)14-8-11-9-15-7-6-13(11)16-14/h2-5,8,15-16H,6-7,9H2,1H3
InChIKeyJVOGOQZMQHUBQW-UHFFFAOYSA-N
XLogP3.05
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 28815415
2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 28815384
3-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 57140925
7-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline
CID 10154309
2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione
CID 106850684
2-thiophen-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;hydrochloride
CID 82021966
2-naphthalen-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 28815394
3-fluoro-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
CID 89388831
2-[2-[4-(oxiran-2-ylmethoxy)phenyl]-4-pyridinyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 87959274
[2-methyl-5-(4-methylsulfanylphenyl)-1H-pyrrol-3-yl]methanol
CID 116828773
3-(4-methylsulfanylphenyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 57273599
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene
CID 143577780

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine (CID 28814954) is 2-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine is CSc1ccc(-c2cc3c([nH]2)CCNC3)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is JVOGOQZMQHUBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-17-12-4-2-10(3-5-12)14-8-11-9-15-7-6-13(11)16-14/h2-5,8,15-16H,6-7,9H2,1H3.
What are the key properties of 2-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
2-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 244.36 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 28814954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).