N-[4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide

C19H30N2O4S — CID 167344763

IUPACN-[4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
SMILESCCC1CCC(OCC2C(NS(C)(=O)=O)CCc3cccc(=O)n32)CC1
InChIInChI=1S/C19H30N2O4S/c1-3-14-7-10-16(11-8-14)25-13-18-17(20-26(2,23)24)12-9-15-5-4-6-19(22)21(15)18/h4-6,14,16-18,20H,3,7-13H2,1-2H3
InChIKeyGKZMWCLZKDIDBT-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.24
Rot. Bonds6

About N-[4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide

N-[4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide (PubChem CID 167344763) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
PubChem CID167344763
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC NameN-[4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
SMILESCCC1CCC(OCC2C(NS(C)(=O)=O)CCc3cccc(=O)n32)CC1
InChIInChI=1S/C19H30N2O4S/c1-3-14-7-10-16(11-8-14)25-13-18-17(20-26(2,23)24)12-9-15-5-4-6-19(22)21(15)18/h4-6,14,16-18,20H,3,7-13H2,1-2H3
InChIKeyGKZMWCLZKDIDBT-UHFFFAOYSA-N
XLogP2.24
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide?
The IUPAC name of N-[4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide (CID 167344763) is N-[4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide?
The canonical SMILES for N-[4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide is CCC1CCC(OCC2C(NS(C)(=O)=O)CCc3cccc(=O)n32)CC1.
What is the InChIKey of N-[4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide?
The InChIKey is GKZMWCLZKDIDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-3-14-7-10-16(11-8-14)25-13-18-17(20-26(2,23)24)12-9-15-5-4-6-19(22)21(15)18/h4-6,14,16-18,20H,3,7-13H2,1-2H3.
What are the key properties of N-[4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide?
N-[4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide has a molecular weight of 382.53 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide is sourced from PubChem (CID 167344763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).