N-[7-cyclopropyl-4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide

C22H34N2O4S — CID 167208393

IUPACN-[7-cyclopropyl-4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
SMILESCCC1CCC(OCC2C(NS(C)(=O)=O)CCc3ccc(C4CC4)c(=O)n32)CC1
InChIInChI=1S/C22H34N2O4S/c1-3-15-4-10-18(11-5-15)28-14-21-20(23-29(2,26)27)13-9-17-8-12-19(16-6-7-16)22(25)24(17)21/h8,12,15-16,18,20-21,23H,3-7,9-11,13-14H2,1-2H3
InChIKeyGLSMQIVQDJLUEH-UHFFFAOYSA-N
MW422.59 g/mol
LogP3.12
Rot. Bonds7

About N-[7-cyclopropyl-4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide

N-[7-cyclopropyl-4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide (PubChem CID 167208393) has the molecular formula C22H34N2O4S and a molecular weight of 422.59 g/mol. Its IUPAC name is N-[7-cyclopropyl-4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[7-cyclopropyl-4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
PubChem CID167208393
Molecular FormulaC22H34N2O4S
Molecular Weight422.59 g/mol
Exact Mass422.22
IUPAC NameN-[7-cyclopropyl-4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide
SMILESCCC1CCC(OCC2C(NS(C)(=O)=O)CCc3ccc(C4CC4)c(=O)n32)CC1
InChIInChI=1S/C22H34N2O4S/c1-3-15-4-10-18(11-5-15)28-14-21-20(23-29(2,26)27)13-9-17-8-12-19(16-6-7-16)22(25)24(17)21/h8,12,15-16,18,20-21,23H,3-7,9-11,13-14H2,1-2H3
InChIKeyGLSMQIVQDJLUEH-UHFFFAOYSA-N
XLogP3.12
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.59
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-cyclopropyl-4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide?
The IUPAC name of N-[7-cyclopropyl-4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide (CID 167208393) is N-[7-cyclopropyl-4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[7-cyclopropyl-4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide?
The canonical SMILES for N-[7-cyclopropyl-4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide is CCC1CCC(OCC2C(NS(C)(=O)=O)CCc3ccc(C4CC4)c(=O)n32)CC1.
What is the InChIKey of N-[7-cyclopropyl-4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide?
The InChIKey is GLSMQIVQDJLUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4S/c1-3-15-4-10-18(11-5-15)28-14-21-20(23-29(2,26)27)13-9-17-8-12-19(16-6-7-16)22(25)24(17)21/h8,12,15-16,18,20-21,23H,3-7,9-11,13-14H2,1-2H3.
What are the key properties of N-[7-cyclopropyl-4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide?
N-[7-cyclopropyl-4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide has a molecular weight of 422.59 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-cyclopropyl-4-[(4-ethylcyclohexyl)oxymethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methanesulfonamide is sourced from PubChem (CID 167208393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).