4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizine

C12H14N2O2S — CID 141206981

IUPAC4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizine
SMILESCS(=O)(=O)c1ccnc2c1cc1n2CCCC1
InChIInChI=1S/C12H14N2O2S/c1-17(15,16)11-5-6-13-12-10(11)8-9-4-2-3-7-14(9)12/h5-6,8H,2-4,7H2,1H3
InChIKeySANDFDISVWXJHD-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.78
Rot. Bonds1

About 4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizine

4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizine (PubChem CID 141206981) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizine.

Molecular Properties

Compound Name4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizine
PubChem CID141206981
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizine
SMILESCS(=O)(=O)c1ccnc2c1cc1n2CCCC1
InChIInChI=1S/C12H14N2O2S/c1-17(15,16)11-5-6-13-12-10(11)8-9-4-2-3-7-14(9)12/h5-6,8H,2-4,7H2,1H3
InChIKeySANDFDISVWXJHD-UHFFFAOYSA-N
XLogP1.78
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylsulfonyl-2-pyridinyl)azepane
CID 133498194
6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 526446
2-sulfanyl-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-1-one
CID 123171177
2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]indolizin-3-one
CID 58043966
1-chloro-4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizine
CID 86752616
3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114598848
1-(5-tert-butyl-2-methylsulfonylphenyl)piperidine
CID 166005479
1-(2-methylsulfonylphenyl)sulfonylazepane
CID 86922481
1-(benzenesulfonyl)-2-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine
CID 68635063
1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine
CID 35289014
2-[5-(furan-3-ylsulfanyl)-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid
CID 10319160
4-[1-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)ethyl]benzoic acid
CID 167837707

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizine?
The IUPAC name of 4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizine (CID 141206981) is 4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizine.
What is the SMILES notation for 4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizine?
The canonical SMILES for 4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizine is CS(=O)(=O)c1ccnc2c1cc1n2CCCC1.
What is the InChIKey of 4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizine?
The InChIKey is SANDFDISVWXJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-17(15,16)11-5-6-13-12-10(11)8-9-4-2-3-7-14(9)12/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizine?
4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizine has a molecular weight of 250.32 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizine is sourced from PubChem (CID 141206981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).