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

C15H18N2S — CID 28815415

IUPAC2-(4-ethylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
SMILESCCSc1ccc(-c2cc3c([nH]2)CCNC3)cc1
InChIInChI=1S/C15H18N2S/c1-2-18-13-5-3-11(4-6-13)15-9-12-10-16-8-7-14(12)17-15/h3-6,9,16-17H,2,7-8,10H2,1H3
InChIKeyCAAHTJRTNBKXFD-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.44
Rot. Bonds3

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

2-(4-ethylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine (PubChem CID 28815415) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
PubChem CID28815415
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name2-(4-ethylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
SMILESCCSc1ccc(-c2cc3c([nH]2)CCNC3)cc1
InChIInChI=1S/C15H18N2S/c1-2-18-13-5-3-11(4-6-13)15-9-12-10-16-8-7-14(12)17-15/h3-6,9,16-17H,2,7-8,10H2,1H3
InChIKeyCAAHTJRTNBKXFD-UHFFFAOYSA-N
XLogP3.44
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 28814954
2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 28815384
2-(4-ethylsulfanylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136673905
3-methyl-6-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1,3-benzoxazol-2-one
CID 28815458
[5-(4-ethylsulfanylphenyl)-2-methyl-1H-pyrrol-3-yl]methanol
CID 116828775
2-naphthalen-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 28815394
2-thiophen-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;hydrochloride
CID 82021966
2-[2-[4-(oxiran-2-ylmethoxy)phenyl]-4-pyridinyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 87959274
N-[(4-ethylsulfanylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide;propane
CID 145315152
2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole
CID 126982323
ethane;1-ethylsulfanyl-4-methylbenzene
CID 142940651
4-(4-ethylsulfanylphenyl)piperidine
CID 82494376

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2-(4-ethylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine (CID 28815415) is 2-(4-ethylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine is CCSc1ccc(-c2cc3c([nH]2)CCNC3)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is CAAHTJRTNBKXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-2-18-13-5-3-11(4-6-13)15-9-12-10-16-8-7-14(12)17-15/h3-6,9,16-17H,2,7-8,10H2,1H3.
What are the key properties of 2-(4-ethylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
2-(4-ethylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 258.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 28815415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).