1-methyl-5-(4-methylsulfanyl-2H-pyrrol-5-yl)-3,6-dihydro-2H-pyridine

C11H16N2S — CID 159732644

IUPAC1-methyl-5-(4-methylsulfanyl-2H-pyrrol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCSC1=CCN=C1C1=CCCN(C)C1
InChIInChI=1S/C11H16N2S/c1-13-7-3-4-9(8-13)11-10(14-2)5-6-12-11/h4-5H,3,6-8H2,1-2H3
InChIKeyCPCKZRGNXXKWHW-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.95
Rot. Bonds2

About 1-methyl-5-(4-methylsulfanyl-2H-pyrrol-5-yl)-3,6-dihydro-2H-pyridine

1-methyl-5-(4-methylsulfanyl-2H-pyrrol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 159732644) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-methyl-5-(4-methylsulfanyl-2H-pyrrol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-(4-methylsulfanyl-2H-pyrrol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID159732644
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name1-methyl-5-(4-methylsulfanyl-2H-pyrrol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCSC1=CCN=C1C1=CCCN(C)C1
InChIInChI=1S/C11H16N2S/c1-13-7-3-4-9(8-13)11-10(14-2)5-6-12-11/h4-5H,3,6-8H2,1-2H3
InChIKeyCPCKZRGNXXKWHW-UHFFFAOYSA-N
XLogP1.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-[4-(4,4,4-trifluorobutylsulfanyl)-2H-pyrrol-5-yl]-3,6-dihydro-2H-pyridine
CID 148608736
ethane;(3E)-N-ethyl-N-methyl-3-(6-methylimino-2-methylsulfanylcyclohexa-2,4-dien-1-ylidene)pent-4-en-1-amine
CID 178091308
5-(3-butylsulfanyl-2H-pyrrol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 159577909
(3E)-N-ethyl-N-methyl-3-(6-methylimino-2-methylsulfanylcyclohexa-2,4-dien-1-ylidene)pent-4-en-1-amine
CID 178091309

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylsulfanyl-2H-pyrrol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-5-(4-methylsulfanyl-2H-pyrrol-5-yl)-3,6-dihydro-2H-pyridine (CID 159732644) is 1-methyl-5-(4-methylsulfanyl-2H-pyrrol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-5-(4-methylsulfanyl-2H-pyrrol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-5-(4-methylsulfanyl-2H-pyrrol-5-yl)-3,6-dihydro-2H-pyridine is CSC1=CCN=C1C1=CCCN(C)C1.
What is the InChIKey of 1-methyl-5-(4-methylsulfanyl-2H-pyrrol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is CPCKZRGNXXKWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-13-7-3-4-9(8-13)11-10(14-2)5-6-12-11/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 1-methyl-5-(4-methylsulfanyl-2H-pyrrol-5-yl)-3,6-dihydro-2H-pyridine?
1-methyl-5-(4-methylsulfanyl-2H-pyrrol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 208.33 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylsulfanyl-2H-pyrrol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 159732644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).