[(6S)-8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone

C18H22N4O2S — CID 97492248

IUPAC[(6S)-8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone
SMILESCc1ccc(N2CCC[C@@]3(CN(C(=O)c4ccsc4)CCO3)C2)nn1
InChIInChI=1S/C18H22N4O2S/c1-14-3-4-16(20-19-14)21-7-2-6-18(12-21)13-22(8-9-24-18)17(23)15-5-10-25-11-15/h3-5,10-11H,2,6-9,12-13H2,1H3/t18-/m0/s1
InChIKeyDRUFIOKVZDWYLC-SFHVURJKSA-N
MW358.47 g/mol
LogP2.36
Rot. Bonds2

About [(6S)-8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone

[(6S)-8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone (PubChem CID 97492248) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is [(6S)-8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(6S)-8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone
PubChem CID97492248
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name[(6S)-8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone
SMILESCc1ccc(N2CCC[C@@]3(CN(C(=O)c4ccsc4)CCO3)C2)nn1
InChIInChI=1S/C18H22N4O2S/c1-14-3-4-16(20-19-14)21-7-2-6-18(12-21)13-22(8-9-24-18)17(23)15-5-10-25-11-15/h3-5,10-11H,2,6-9,12-13H2,1H3/t18-/m0/s1
InChIKeyDRUFIOKVZDWYLC-SFHVURJKSA-N
XLogP2.36
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(6S)-8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone 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

(8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-thiophen-3-ylmethanone
CID 131649578
(8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155855024
1-[8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-pyrimidin-5-ylpropan-1-one
CID 131682087
furan-3-yl-[4-(6-methylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131903877
(6-methyl-3-pyridinyl)-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 155872120
8-(6-methylpyridazin-3-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131660482
[(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-thiophen-3-ylmethanone
CID 97377503
pyridin-4-yl-[(6R)-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 97492317
[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone
CID 97450861
(3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 115874944
pyrazin-2-yl-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131639207
(6-methyl-2-pyridinyl)-[(6S)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 97372447

Frequently Asked Questions

What is the IUPAC name of [(6S)-8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(6S)-8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone (CID 97492248) is [(6S)-8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(6S)-8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(6S)-8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone is Cc1ccc(N2CCC[C@@]3(CN(C(=O)c4ccsc4)CCO3)C2)nn1.
What is the InChIKey of [(6S)-8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone?
The InChIKey is DRUFIOKVZDWYLC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-14-3-4-16(20-19-14)21-7-2-6-18(12-21)13-22(8-9-24-18)17(23)15-5-10-25-11-15/h3-5,10-11H,2,6-9,12-13H2,1H3/t18-/m0/s1.
What are the key properties of [(6S)-8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone?
[(6S)-8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone has a molecular weight of 358.47 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-8-(6-methylpyridazin-3-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 97492248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).