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

C14H18N2O3S — CID 131649587

IUPAC5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1NC(=O)COC12CCN(C(=O)c1cccs1)CC2
InChIInChI=1S/C14H18N2O3S/c1-10-14(19-9-12(17)15-10)4-6-16(7-5-14)13(18)11-3-2-8-20-11/h2-3,8,10H,4-7,9H2,1H3,(H,15,17)
InChIKeyXPWJECOARACAKT-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.26
Rot. Bonds1

About 5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 131649587) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID131649587
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1NC(=O)COC12CCN(C(=O)c1cccs1)CC2
InChIInChI=1S/C14H18N2O3S/c1-10-14(19-9-12(17)15-10)4-6-16(7-5-14)13(18)11-3-2-8-20-11/h2-3,8,10H,4-7,9H2,1H3,(H,15,17)
InChIKeyXPWJECOARACAKT-UHFFFAOYSA-N
XLogP1.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
CID 82242378
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97370792
1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110801970
[(2R,5R,6R)-6-methyl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 124521040
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118744989
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217

Frequently Asked Questions

What is the IUPAC name of 5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 131649587) is 5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1NC(=O)COC12CCN(C(=O)c1cccs1)CC2.
What is the InChIKey of 5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is XPWJECOARACAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10-14(19-9-12(17)15-10)4-6-16(7-5-14)13(18)11-3-2-8-20-11/h2-3,8,10H,4-7,9H2,1H3,(H,15,17).
What are the key properties of 5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
5-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 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 131649587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).