(6S)-2-(4-methylsulfonylphenyl)-6-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C19H25N3O2S — CID 162735690

IUPAC(6S)-2-(4-methylsulfonylphenyl)-6-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cn3c(n2)CC[C@@H](C2CCNCC2)C3)cc1
InChIInChI=1S/C19H25N3O2S/c1-25(23,24)17-5-2-15(3-6-17)18-13-22-12-16(4-7-19(22)21-18)14-8-10-20-11-9-14/h2-3,5-6,13-14,16,20H,4,7-12H2,1H3/t16-/m1/s1
InChIKeyWGRJQHOTHRBNMR-MRXNPFEDSA-N
MW359.50 g/mol
LogP2.52
Rot. Bonds3

About (6S)-2-(4-methylsulfonylphenyl)-6-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

(6S)-2-(4-methylsulfonylphenyl)-6-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 162735690) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is (6S)-2-(4-methylsulfonylphenyl)-6-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name(6S)-2-(4-methylsulfonylphenyl)-6-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID162735690
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name(6S)-2-(4-methylsulfonylphenyl)-6-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cn3c(n2)CC[C@@H](C2CCNCC2)C3)cc1
InChIInChI=1S/C19H25N3O2S/c1-25(23,24)17-5-2-15(3-6-17)18-13-22-12-16(4-7-19(22)21-18)14-8-10-20-11-9-14/h2-3,5-6,13-14,16,20H,4,7-12H2,1H3/t16-/m1/s1
InChIKeyWGRJQHOTHRBNMR-MRXNPFEDSA-N
XLogP2.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-2-(4-methylsulfonylphenyl)-6-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine with MolForge

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Related Compounds

4-[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrofuran-2-yl]piperidine
CID 174698988
5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine
CID 131985315
1-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butan-1-one
CID 71131089
2-methyl-4-(4-methylsulfonylphenyl)-6-[(3S)-pyrrolidin-3-yl]pyrimidine
CID 95825585
2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128226
3-(4-methylsulfonylphenyl)-6-(1-piperidin-4-ylpiperidin-2-yl)pyridazine
CID 90985185
2-(4-methylsulfonylphenyl)-5-(piperidin-4-yloxymethyl)pyrazine
CID 68892366
5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697922
2-methyl-3-[(2R)-1-(4-methylsulfonylphenyl)-4-piperidin-4-ylpiperidin-2-yl]pyrazine
CID 69042843
2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol
CID 117128652
2-(3-chlorocyclobutyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole
CID 166305504
5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole
CID 150283484

Frequently Asked Questions

What is the IUPAC name of (6S)-2-(4-methylsulfonylphenyl)-6-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of (6S)-2-(4-methylsulfonylphenyl)-6-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 162735690) is (6S)-2-(4-methylsulfonylphenyl)-6-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for (6S)-2-(4-methylsulfonylphenyl)-6-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for (6S)-2-(4-methylsulfonylphenyl)-6-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is CS(=O)(=O)c1ccc(-c2cn3c(n2)CC[C@@H](C2CCNCC2)C3)cc1.
What is the InChIKey of (6S)-2-(4-methylsulfonylphenyl)-6-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is WGRJQHOTHRBNMR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-25(23,24)17-5-2-15(3-6-17)18-13-22-12-16(4-7-19(22)21-18)14-8-10-20-11-9-14/h2-3,5-6,13-14,16,20H,4,7-12H2,1H3/t16-/m1/s1.
What are the key properties of (6S)-2-(4-methylsulfonylphenyl)-6-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
(6S)-2-(4-methylsulfonylphenyl)-6-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 359.50 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(4-methylsulfonylphenyl)-6-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 162735690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).