(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone

C22H26N2O5S2 — CID 55661488

IUPAC(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H26N2O5S2/c1-30(26,27)19-10-11-21-17(15-19)8-6-14-24(21)22(25)18-7-5-9-20(16-18)31(28,29)23-12-3-2-4-13-23/h5,7,9-11,15-16H,2-4,6,8,12-14H2,1H3
InChIKeyQITJHXLMSNBDMH-UHFFFAOYSA-N
MW462.59 g/mol
LogP2.86
Rot. Bonds4

About (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone

(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone (PubChem CID 55661488) has the molecular formula C22H26N2O5S2 and a molecular weight of 462.59 g/mol. Its IUPAC name is (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
PubChem CID55661488
Molecular FormulaC22H26N2O5S2
Molecular Weight462.59 g/mol
Exact Mass462.13
IUPAC Name(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H26N2O5S2/c1-30(26,27)19-10-11-21-17(15-19)8-6-14-24(21)22(25)18-7-5-9-20(16-18)31(28,29)23-12-3-2-4-13-23/h5,7,9-11,15-16H,2-4,6,8,12-14H2,1H3
InChIKeyQITJHXLMSNBDMH-UHFFFAOYSA-N
XLogP2.86
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17248252
N,N-diethyl-1-(3-methylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435425
[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1202064
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 55661323
(3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17418564
1-methyl-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridin-2-one
CID 55574428
methyl 4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoate
CID 55433839
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone
CID 55873184
1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one
CID 55438632
4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzonitrile
CID 17440794
(2-fluoro-4-pyridinyl)-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 52733546
(3-methyl-4-nitrophenyl)-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 26466057

Frequently Asked Questions

What is the IUPAC name of (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone (CID 55661488) is (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone is CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone?
The InChIKey is QITJHXLMSNBDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S2/c1-30(26,27)19-10-11-21-17(15-19)8-6-14-24(21)22(25)18-7-5-9-20(16-18)31(28,29)23-12-3-2-4-13-23/h5,7,9-11,15-16H,2-4,6,8,12-14H2,1H3.
What are the key properties of (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone?
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone has a molecular weight of 462.59 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 55661488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).