(6S)-N-(6-chloro-1,3-benzodioxol-5-yl)-2,2,6-trimethylmorpholine-4-carboxamide

C15H19ClN2O4 — CID 124627452

IUPAC(6S)-N-(6-chloro-1,3-benzodioxol-5-yl)-2,2,6-trimethylmorpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2cc3c(cc2Cl)OCO3)CC(C)(C)O1
InChIInChI=1S/C15H19ClN2O4/c1-9-6-18(7-15(2,3)22-9)14(19)17-11-5-13-12(4-10(11)16)20-8-21-13/h4-5,9H,6-8H2,1-3H3,(H,17,19)/t9-/m0/s1
InChIKeyOLHDNTLVCJLVLE-VIFPVBQESA-N
MW326.78 g/mol
LogP3.10
Rot. Bonds1

About (6S)-N-(6-chloro-1,3-benzodioxol-5-yl)-2,2,6-trimethylmorpholine-4-carboxamide

(6S)-N-(6-chloro-1,3-benzodioxol-5-yl)-2,2,6-trimethylmorpholine-4-carboxamide (PubChem CID 124627452) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is (6S)-N-(6-chloro-1,3-benzodioxol-5-yl)-2,2,6-trimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(6S)-N-(6-chloro-1,3-benzodioxol-5-yl)-2,2,6-trimethylmorpholine-4-carboxamide
PubChem CID124627452
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Name(6S)-N-(6-chloro-1,3-benzodioxol-5-yl)-2,2,6-trimethylmorpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2cc3c(cc2Cl)OCO3)CC(C)(C)O1
InChIInChI=1S/C15H19ClN2O4/c1-9-6-18(7-15(2,3)22-9)14(19)17-11-5-13-12(4-10(11)16)20-8-21-13/h4-5,9H,6-8H2,1-3H3,(H,17,19)/t9-/m0/s1
InChIKeyOLHDNTLVCJLVLE-VIFPVBQESA-N
XLogP3.10
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48641749
N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48630543
1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101967
N-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide
CID 55164754
methyl 1-methyl-4-[[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]amino]pyrrole-2-carboxylate
CID 164635761
N-(4-cyclopentyloxyphenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48640265
cis-(1S,3S)-N-(6-chloro-1,3-benzodioxol-5-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 34540537
N-(6-chloro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide
CID 60699580
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide
CID 47201238
[5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62174797
(2,5-dichloro-4-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 114918341
N-(6-chloro-1,3-benzodioxol-5-yl)butanamide
CID 34536772

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(6-chloro-1,3-benzodioxol-5-yl)-2,2,6-trimethylmorpholine-4-carboxamide?
The IUPAC name of (6S)-N-(6-chloro-1,3-benzodioxol-5-yl)-2,2,6-trimethylmorpholine-4-carboxamide (CID 124627452) is (6S)-N-(6-chloro-1,3-benzodioxol-5-yl)-2,2,6-trimethylmorpholine-4-carboxamide.
What is the SMILES notation for (6S)-N-(6-chloro-1,3-benzodioxol-5-yl)-2,2,6-trimethylmorpholine-4-carboxamide?
The canonical SMILES for (6S)-N-(6-chloro-1,3-benzodioxol-5-yl)-2,2,6-trimethylmorpholine-4-carboxamide is C[C@H]1CN(C(=O)Nc2cc3c(cc2Cl)OCO3)CC(C)(C)O1.
What is the InChIKey of (6S)-N-(6-chloro-1,3-benzodioxol-5-yl)-2,2,6-trimethylmorpholine-4-carboxamide?
The InChIKey is OLHDNTLVCJLVLE-VIFPVBQESA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-9-6-18(7-15(2,3)22-9)14(19)17-11-5-13-12(4-10(11)16)20-8-21-13/h4-5,9H,6-8H2,1-3H3,(H,17,19)/t9-/m0/s1.
What are the key properties of (6S)-N-(6-chloro-1,3-benzodioxol-5-yl)-2,2,6-trimethylmorpholine-4-carboxamide?
(6S)-N-(6-chloro-1,3-benzodioxol-5-yl)-2,2,6-trimethylmorpholine-4-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(6-chloro-1,3-benzodioxol-5-yl)-2,2,6-trimethylmorpholine-4-carboxamide is sourced from PubChem (CID 124627452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).