2-[[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[9-(dimethylamino)-9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl]ethanone

C31H44ClN3O4S2 — CID 46189835

IUPAC2-[[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[9-(dimethylamino)-9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl]ethanone
SMILESCc1cccc(Cl)c1S(=O)(=O)N1CCCCC1COCC(=O)N1CCC2(CC1)CCC(c1cccs1)(N(C)C)CC2
InChIInChI=1S/C31H44ClN3O4S2/c1-24-8-6-10-26(32)29(24)41(37,38)35-18-5-4-9-25(35)22-39-23-28(36)34-19-16-30(17-20-34)12-14-31(15-13-30,33(2)3)27-11-7-21-40-27/h6-8,10-11,21,25H,4-5,9,12-20,22-23H2,1-3H3
InChIKeyQVFGLEJPHJPIHJ-UHFFFAOYSA-N
MW622.30 g/mol
LogP5.91
Rot. Bonds8

About 2-[[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[9-(dimethylamino)-9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl]ethanone

2-[[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[9-(dimethylamino)-9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl]ethanone (PubChem CID 46189835) has the molecular formula C31H44ClN3O4S2 and a molecular weight of 622.30 g/mol. Its IUPAC name is 2-[[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[9-(dimethylamino)-9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl]ethanone.

Molecular Properties

Compound Name2-[[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[9-(dimethylamino)-9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl]ethanone
PubChem CID46189835
Molecular FormulaC31H44ClN3O4S2
Molecular Weight622.30 g/mol
Exact Mass621.25
IUPAC Name2-[[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[9-(dimethylamino)-9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl]ethanone
SMILESCc1cccc(Cl)c1S(=O)(=O)N1CCCCC1COCC(=O)N1CCC2(CC1)CCC(c1cccs1)(N(C)C)CC2
InChIInChI=1S/C31H44ClN3O4S2/c1-24-8-6-10-26(32)29(24)41(37,38)35-18-5-4-9-25(35)22-39-23-28(36)34-19-16-30(17-20-34)12-14-31(15-13-30,33(2)3)27-11-7-21-40-27/h6-8,10-11,21,25H,4-5,9,12-20,22-23H2,1-3H3
InChIKeyQVFGLEJPHJPIHJ-UHFFFAOYSA-N
XLogP5.91
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.30
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[9-(dimethylamino)-9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(2-Chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[9-(3-fluorophenyl)-9-pyrrolidin-1-yl-3-azaspiro[5.5]undecan-3-yl]ethanone
CID 46189291
N-[2-[2-[2-(Azetidin-1-yl-methyl)-4,5,6,7-tetrahydro-thieno[3,2-c]pyridin-5-yl]-2-oxo-ethoxy]-ethyl]-2-chloro-N-cyclopropyl-6-methyl-benzenesulfonic Acid Amide
CID 44253162
2-[[(2S)-1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[2-(piperidin-1-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 44253302
2-chloro-N-cyclopropyl-6-methyl-N-[2-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethoxy]ethyl]benzenesulfonamide
CID 44253303
2-[[(2S)-1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]ethanone
CID 46188762
2-chloro-N-cyclopropyl-N-[2-[2-[9-(dimethylamino)-9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl]-2-oxoethoxy]ethyl]-6-methylbenzenesulfonamide
CID 46189475
2-[[1-(2-Chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[9-(dimethylamino)-9-phenyl-3-azaspiro[5.5]undecan-3-yl]ethanone
CID 68593077
2-chloro-N-cyclopropyl-N-[2-[2-[9-(2,3-dihydrothiophen-2-yl)-9-(dimethylamino)-3-azaspiro[5.5]undecan-3-yl]-2-oxoethoxy]ethyl]-6-methylbenzenesulfonamide
CID 70889020
2-chloro-6-methyl-N-[2-[2-oxo-2-(9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl)ethoxy]ethyl]benzenesulfonamide
CID 143982207

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[9-(dimethylamino)-9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl]ethanone?
The IUPAC name of 2-[[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[9-(dimethylamino)-9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl]ethanone (CID 46189835) is 2-[[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[9-(dimethylamino)-9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl]ethanone.
What is the SMILES notation for 2-[[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[9-(dimethylamino)-9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl]ethanone?
The canonical SMILES for 2-[[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[9-(dimethylamino)-9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl]ethanone is Cc1cccc(Cl)c1S(=O)(=O)N1CCCCC1COCC(=O)N1CCC2(CC1)CCC(c1cccs1)(N(C)C)CC2.
What is the InChIKey of 2-[[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[9-(dimethylamino)-9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl]ethanone?
The InChIKey is QVFGLEJPHJPIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44ClN3O4S2/c1-24-8-6-10-26(32)29(24)41(37,38)35-18-5-4-9-25(35)22-39-23-28(36)34-19-16-30(17-20-34)12-14-31(15-13-30,33(2)3)27-11-7-21-40-27/h6-8,10-11,21,25H,4-5,9,12-20,22-23H2,1-3H3.
What are the key properties of 2-[[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[9-(dimethylamino)-9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl]ethanone?
2-[[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[9-(dimethylamino)-9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl]ethanone has a molecular weight of 622.30 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[9-(dimethylamino)-9-thiophen-2-yl-3-azaspiro[5.5]undecan-3-yl]ethanone is sourced from PubChem (CID 46189835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).