4-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C14H18N2O3S — CID 77097067

IUPAC4-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(C(=O)c3cccs3)CC2)OCC1=O
InChIInChI=1S/C14H18N2O3S/c1-15-10-14(19-9-12(15)17)4-6-16(7-5-14)13(18)11-3-2-8-20-11/h2-3,8H,4-7,9-10H2,1H3
InChIKeyOBBBLUSIQJFHSO-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.21
Rot. Bonds1

About 4-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 77097067) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID77097067
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name4-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(C(=O)c3cccs3)CC2)OCC1=O
InChIInChI=1S/C14H18N2O3S/c1-15-10-14(19-9-12(15)17)4-6-16(7-5-14)13(18)11-3-2-8-20-11/h2-3,8H,4-7,9-10H2,1H3
InChIKeyOBBBLUSIQJFHSO-UHFFFAOYSA-N
XLogP1.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 77097067) is 4-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCN(C(=O)c3cccs3)CC2)OCC1=O.
What is the InChIKey of 4-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is OBBBLUSIQJFHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-15-10-14(19-9-12(15)17)4-6-16(7-5-14)13(18)11-3-2-8-20-11/h2-3,8H,4-7,9-10H2,1H3.
What are the key properties of 4-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 294.38 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 77097067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).