8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide

C19H25NO4S — CID 100779251

IUPAC8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide
SMILESCC1(C(=O)Nc2ccc(OC3CSC3)cc2)COC2(CCCC2)OC1
InChIInChI=1S/C19H25NO4S/c1-18(12-22-19(23-13-18)8-2-3-9-19)17(21)20-14-4-6-15(7-5-14)24-16-10-25-11-16/h4-7,16H,2-3,8-13H2,1H3,(H,20,21)
InChIKeyRIUOFCXRCBDLNF-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.44
Rot. Bonds4

About 8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide

8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide (PubChem CID 100779251) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is 8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide
PubChem CID100779251
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Name8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide
SMILESCC1(C(=O)Nc2ccc(OC3CSC3)cc2)COC2(CCCC2)OC1
InChIInChI=1S/C19H25NO4S/c1-18(12-22-19(23-13-18)8-2-3-9-19)17(21)20-14-4-6-15(7-5-14)24-16-10-25-11-16/h4-7,16H,2-3,8-13H2,1H3,(H,20,21)
InChIKeyRIUOFCXRCBDLNF-UHFFFAOYSA-N
XLogP3.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide
CID 100779113
8-methyl-N-(4-propan-2-yloxyphenyl)-6,10-dioxaspiro[4.5]decane-8-carboxamide
CID 100779192
5-methyl-2-[4-(thietan-3-yloxy)phenyl]-N-[4-(trifluoromethoxy)phenyl]-1,3-dioxane-5-carboxamide
CID 100780047
1-phenyl-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide
CID 100781195
1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide
CID 100780604
1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide
CID 100781332
N-[4-methoxy-3-(trifluoromethyl)phenyl]-8-methyl-6,10-dioxaspiro[4.5]decane-8-carboxamide
CID 100784252
6-methyl-1,1-dioxo-2-phenyl-N-[4-(thietan-3-yloxy)phenyl]thiazinane-6-carboxamide
CID 133230237
4-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]oxane-4-carboxamide
CID 100781359
3-methyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]-1,5-dioxaspiro[5.5]undecane-3-carboxamide
CID 100784097
1-amino-N-(4-cyclopentyloxyphenyl)cyclohexane-1-carboxamide
CID 119284690
3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide
CID 146022356

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide (CID 100779251) is 8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide is CC1(C(=O)Nc2ccc(OC3CSC3)cc2)COC2(CCCC2)OC1.
What is the InChIKey of 8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide?
The InChIKey is RIUOFCXRCBDLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-18(12-22-19(23-13-18)8-2-3-9-19)17(21)20-14-4-6-15(7-5-14)24-16-10-25-11-16/h4-7,16H,2-3,8-13H2,1H3,(H,20,21).
What are the key properties of 8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide?
8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[4-(thietan-3-yloxy)phenyl]-6,10-dioxaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 100779251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).