3-methyl-9-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C17H19N3O4S2 — CID 171913941

IUPAC3-methyl-9-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCCN(S(=O)(=O)c3ccc(-c4cccnc4)s3)C2)OC1=O
InChIInChI=1S/C17H19N3O4S2/c1-19-11-17(24-16(19)21)7-3-9-20(12-17)26(22,23)15-6-5-14(25-15)13-4-2-8-18-10-13/h2,4-6,8,10H,3,7,9,11-12H2,1H3
InChIKeyNYGGKYVBHBEWFG-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.42
Rot. Bonds3

About 3-methyl-9-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

3-methyl-9-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 171913941) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-methyl-9-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-9-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID171913941
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC Name3-methyl-9-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCCN(S(=O)(=O)c3ccc(-c4cccnc4)s3)C2)OC1=O
InChIInChI=1S/C17H19N3O4S2/c1-19-11-17(24-16(19)21)7-3-9-20(12-17)26(22,23)15-6-5-14(25-15)13-4-2-8-18-10-13/h2,4-6,8,10H,3,7,9,11-12H2,1H3
InChIKeyNYGGKYVBHBEWFG-UHFFFAOYSA-N
XLogP2.42
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-3-methyl-7-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95719362
(5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126427748
1-[5-(3-aminophenyl)thiophen-2-yl]sulfonyl-4-pyridin-3-ylpiperidin-4-ol
CID 171913007
3-methyl-8-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 97279939
(5R)-3-methyl-9-(2,4,5-trifluorophenyl)sulfonyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95709705
2-cyclopropyl-7-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine
CID 171912902
(5R)-9-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95723889
5-[5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]sulfonyl]thiophen-2-yl]-3-methyl-1,2-oxazole
CID 135089894
3-methyl-9-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77082111
3-methyl-9-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 74239736
N-methyl-N-[(4R)-4-methyl-1-(5-pyridin-3-ylthiophen-2-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 59659122
3-methyl-9-[4-(1H-pyrazol-5-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56889982

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-9-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 171913941) is 3-methyl-9-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-9-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-9-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CN1CC2(CCCN(S(=O)(=O)c3ccc(-c4cccnc4)s3)C2)OC1=O.
What is the InChIKey of 3-methyl-9-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is NYGGKYVBHBEWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-19-11-17(24-16(19)21)7-3-9-20(12-17)26(22,23)15-6-5-14(25-15)13-4-2-8-18-10-13/h2,4-6,8,10H,3,7,9,11-12H2,1H3.
What are the key properties of 3-methyl-9-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
3-methyl-9-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 393.49 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 171913941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).