3-(dimethylsulfamoylamino)-7-methyl-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizine

C20H33N3O4S — CID 167208657

IUPAC3-(dimethylsulfamoylamino)-7-methyl-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizine
SMILESCc1ccc2n(c1=O)C(COC1CCC(C)CC1)C(NS(=O)(=O)N(C)C)CC2
InChIInChI=1S/C20H33N3O4S/c1-14-5-10-17(11-6-14)27-13-19-18(21-28(25,26)22(3)4)12-9-16-8-7-15(2)20(24)23(16)19/h7-8,14,17-19,21H,5-6,9-13H2,1-4H3
InChIKeyRQAWTUZUKJTZEX-UHFFFAOYSA-N
MW411.57 g/mol
LogP2.00
Rot. Bonds6

About 3-(dimethylsulfamoylamino)-7-methyl-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizine

3-(dimethylsulfamoylamino)-7-methyl-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizine (PubChem CID 167208657) has the molecular formula C20H33N3O4S and a molecular weight of 411.57 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)-7-methyl-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizine.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)-7-methyl-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizine
PubChem CID167208657
Molecular FormulaC20H33N3O4S
Molecular Weight411.57 g/mol
Exact Mass411.22
IUPAC Name3-(dimethylsulfamoylamino)-7-methyl-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizine
SMILESCc1ccc2n(c1=O)C(COC1CCC(C)CC1)C(NS(=O)(=O)N(C)C)CC2
InChIInChI=1S/C20H33N3O4S/c1-14-5-10-17(11-6-14)27-13-19-18(21-28(25,26)22(3)4)12-9-16-8-7-15(2)20(24)23(16)19/h7-8,14,17-19,21H,5-6,9-13H2,1-4H3
InChIKeyRQAWTUZUKJTZEX-UHFFFAOYSA-N
XLogP2.00
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(dimethylsulfamoylamino)-7-methyl-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizine with MolForge

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Launch Full Analysis

Related Compounds

N-[(3S,4R)-4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide
CID 165387781
N-[7-methyl-6-oxo-4-[(4-propoxycyclohexyl)oxymethyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
CID 167208341
7-hydroxy-3-methyl-6-[(4-methylcyclohexyl)oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one
CID 175817683
N-[(3S,4R)-7-methyl-6-oxo-4-[(4-propylcyclohexyl)oxymethyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
CID 175858786
N-[7-methyl-4-[[4-(2-methylcyclopropyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]cyclopropanesulfonamide
CID 167208546
N-[4-[(4-tert-butylcyclohexyl)oxymethyl]-7-methyl-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide
CID 167208245
N-[(3S,4R)-4-[(4-tert-butylcyclohexyl)oxymethyl]-7-methyl-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide
CID 165387787
N-[(3S,4R)-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-7-propan-2-yl-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
CID 175858836
N-[7-methyl-4-[[4-(2-methylphenyl)cyclohexyl]oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]ethanesulfonamide
CID 165387826
ethyl 2-[4-[[(3S,4R)-3-(methanesulfonamido)-7-methyl-6-oxo-1,2,3,4-tetrahydroquinolizin-4-yl]methoxy]cyclohexyl]acetate
CID 165387789
7-(dimethylaminosulfanylamino)-3-methyl-6-[[4-(3-methylphenyl)cyclohexyl]oxymethyl]-6,7,8,9-tetrahydroquinolizin-4-one
CID 167208314
4-[(4-ethoxycyclohexyl)oxymethyl]-7-methyl-2,4-dihydro-1H-quinolizine-3,6-dione
CID 156745773

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)-7-methyl-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizine?
The IUPAC name of 3-(dimethylsulfamoylamino)-7-methyl-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizine (CID 167208657) is 3-(dimethylsulfamoylamino)-7-methyl-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizine.
What is the SMILES notation for 3-(dimethylsulfamoylamino)-7-methyl-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizine?
The canonical SMILES for 3-(dimethylsulfamoylamino)-7-methyl-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizine is Cc1ccc2n(c1=O)C(COC1CCC(C)CC1)C(NS(=O)(=O)N(C)C)CC2.
What is the InChIKey of 3-(dimethylsulfamoylamino)-7-methyl-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizine?
The InChIKey is RQAWTUZUKJTZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4S/c1-14-5-10-17(11-6-14)27-13-19-18(21-28(25,26)22(3)4)12-9-16-8-7-15(2)20(24)23(16)19/h7-8,14,17-19,21H,5-6,9-13H2,1-4H3.
What are the key properties of 3-(dimethylsulfamoylamino)-7-methyl-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizine?
3-(dimethylsulfamoylamino)-7-methyl-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizine has a molecular weight of 411.57 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)-7-methyl-4-[(4-methylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizine is sourced from PubChem (CID 167208657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).