7-morpholin-4-yl-3-(2,4,6-trimethylphenyl)sulfonyl-5-oxa-2-azaspiro[3.4]octane

C19H28N2O4S — CID 176889745

IUPAC7-morpholin-4-yl-3-(2,4,6-trimethylphenyl)sulfonyl-5-oxa-2-azaspiro[3.4]octane
SMILESCc1cc(C)c(S(=O)(=O)C2NCC23CC(N2CCOCC2)CO3)c(C)c1
InChIInChI=1S/C19H28N2O4S/c1-13-8-14(2)17(15(3)9-13)26(22,23)18-19(12-20-18)10-16(11-25-19)21-4-6-24-7-5-21/h8-9,16,18,20H,4-7,10-12H2,1-3H3
InChIKeyUUFDFHXPFWNHSW-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.17
Rot. Bonds3

About 7-morpholin-4-yl-3-(2,4,6-trimethylphenyl)sulfonyl-5-oxa-2-azaspiro[3.4]octane

7-morpholin-4-yl-3-(2,4,6-trimethylphenyl)sulfonyl-5-oxa-2-azaspiro[3.4]octane (PubChem CID 176889745) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 7-morpholin-4-yl-3-(2,4,6-trimethylphenyl)sulfonyl-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-morpholin-4-yl-3-(2,4,6-trimethylphenyl)sulfonyl-5-oxa-2-azaspiro[3.4]octane
PubChem CID176889745
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name7-morpholin-4-yl-3-(2,4,6-trimethylphenyl)sulfonyl-5-oxa-2-azaspiro[3.4]octane
SMILESCc1cc(C)c(S(=O)(=O)C2NCC23CC(N2CCOCC2)CO3)c(C)c1
InChIInChI=1S/C19H28N2O4S/c1-13-8-14(2)17(15(3)9-13)26(22,23)18-19(12-20-18)10-16(11-25-19)21-4-6-24-7-5-21/h8-9,16,18,20H,4-7,10-12H2,1-3H3
InChIKeyUUFDFHXPFWNHSW-UHFFFAOYSA-N
XLogP1.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-morpholin-4-yl-3-(2,4,6-trimethylphenyl)sulfonyl-5-oxa-2-azaspiro[3.4]octane with MolForge

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Related Compounds

4-[2-(2,4,6-trimethylphenyl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
CID 170738076
8-(2,6-difluoro-4-methylphenyl)sulfanyl-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 170119547
4-[1-(2,4,6-trimethylphenyl)sulfinylpiperidin-4-yl]morpholine
CID 146666638
1-[4-(2,4,6-trimethylphenyl)sulfonylmorpholin-3-yl]propan-2-one
CID 136529774
5,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82047388
6,8-dimethyl-4-morpholin-4-yl-3,4-dihydro-2H-chromen-3-amine
CID 82624331
4-fluoro-3-methyl-N-(3-morpholin-4-ylcyclobutyl)benzenesulfonamide
CID 126822199
4-(2,5,7-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl)morpholine
CID 82275995
N-cyclopropyl-2,4,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 110873091
4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 26843191
(4-fluorophenyl)-(3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131659617
6,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82047387

Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-3-(2,4,6-trimethylphenyl)sulfonyl-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 7-morpholin-4-yl-3-(2,4,6-trimethylphenyl)sulfonyl-5-oxa-2-azaspiro[3.4]octane (CID 176889745) is 7-morpholin-4-yl-3-(2,4,6-trimethylphenyl)sulfonyl-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 7-morpholin-4-yl-3-(2,4,6-trimethylphenyl)sulfonyl-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 7-morpholin-4-yl-3-(2,4,6-trimethylphenyl)sulfonyl-5-oxa-2-azaspiro[3.4]octane is Cc1cc(C)c(S(=O)(=O)C2NCC23CC(N2CCOCC2)CO3)c(C)c1.
What is the InChIKey of 7-morpholin-4-yl-3-(2,4,6-trimethylphenyl)sulfonyl-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is UUFDFHXPFWNHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-13-8-14(2)17(15(3)9-13)26(22,23)18-19(12-20-18)10-16(11-25-19)21-4-6-24-7-5-21/h8-9,16,18,20H,4-7,10-12H2,1-3H3.
What are the key properties of 7-morpholin-4-yl-3-(2,4,6-trimethylphenyl)sulfonyl-5-oxa-2-azaspiro[3.4]octane?
7-morpholin-4-yl-3-(2,4,6-trimethylphenyl)sulfonyl-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 380.51 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-3-(2,4,6-trimethylphenyl)sulfonyl-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 176889745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).