N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,5-dimethylthiophene-2-carboxamide

C15H21NO3S — CID 79112494

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-N,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)C2CCC3(CC2)OCCO3)s1
InChIInChI=1S/C15H21NO3S/c1-11-3-4-13(20-11)14(17)16(2)12-5-7-15(8-6-12)18-9-10-19-15/h3-4,12H,5-10H2,1-2H3
InChIKeyFLGZQRCDGMUIPC-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.81
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,5-dimethylthiophene-2-carboxamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,5-dimethylthiophene-2-carboxamide (PubChem CID 79112494) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N,5-dimethylthiophene-2-carboxamide
PubChem CID79112494
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)C2CCC3(CC2)OCCO3)s1
InChIInChI=1S/C15H21NO3S/c1-11-3-4-13(20-11)14(17)16(2)12-5-7-15(8-6-12)18-9-10-19-15/h3-4,12H,5-10H2,1-2H3
InChIKeyFLGZQRCDGMUIPC-UHFFFAOYSA-N
XLogP2.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,5-dimethylthiophene-2-carboxamide (CID 79112494) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,5-dimethylthiophene-2-carboxamide is Cc1ccc(C(=O)N(C)C2CCC3(CC2)OCCO3)s1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,5-dimethylthiophene-2-carboxamide?
The InChIKey is FLGZQRCDGMUIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-11-3-4-13(20-11)14(17)16(2)12-5-7-15(8-6-12)18-9-10-19-15/h3-4,12H,5-10H2,1-2H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,5-dimethylthiophene-2-carboxamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,5-dimethylthiophene-2-carboxamide has a molecular weight of 295.40 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 79112494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).