N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methoxy-N-methylthiophene-2-carboxamide

C15H21NO4S — CID 81122796

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H21NO4S/c1-16(14(17)13-12(18-2)5-10-21-13)11-3-6-15(7-4-11)19-8-9-20-15/h5,10-11H,3-4,6-9H2,1-2H3
InChIKeyOOFQGTDAERMCTP-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.51
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methoxy-N-methylthiophene-2-carboxamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methoxy-N-methylthiophene-2-carboxamide (PubChem CID 81122796) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methoxy-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methoxy-N-methylthiophene-2-carboxamide
PubChem CID81122796
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H21NO4S/c1-16(14(17)13-12(18-2)5-10-21-13)11-3-6-15(7-4-11)19-8-9-20-15/h5,10-11H,3-4,6-9H2,1-2H3
InChIKeyOOFQGTDAERMCTP-UHFFFAOYSA-N
XLogP2.51
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methoxy-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methoxy-N-methylthiophene-2-carboxamide (CID 81122796) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methoxy-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methoxy-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methoxy-N-methylthiophene-2-carboxamide is COc1ccsc1C(=O)N(C)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methoxy-N-methylthiophene-2-carboxamide?
The InChIKey is OOFQGTDAERMCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-16(14(17)13-12(18-2)5-10-21-13)11-3-6-15(7-4-11)19-8-9-20-15/h5,10-11H,3-4,6-9H2,1-2H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methoxy-N-methylthiophene-2-carboxamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methoxy-N-methylthiophene-2-carboxamide has a molecular weight of 311.40 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methoxy-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 81122796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).