8-(3-methylthiophen-2-yl)sulfonyl-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

C19H23N3O3S2 — CID 155873266

IUPAC8-(3-methylthiophen-2-yl)sulfonyl-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccsc1S(=O)(=O)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1
InChIInChI=1S/C19H23N3O3S2/c1-15-5-12-26-18(15)27(24,25)21-10-7-19(8-11-21)6-4-17(23)22(19)14-16-3-2-9-20-13-16/h2-3,5,9,12-13H,4,6-8,10-11,14H2,1H3
InChIKeyGTFSXSXCSNLZGA-UHFFFAOYSA-N
MW405.55 g/mol
LogP2.80
Rot. Bonds4

About 8-(3-methylthiophen-2-yl)sulfonyl-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

8-(3-methylthiophen-2-yl)sulfonyl-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 155873266) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 8-(3-methylthiophen-2-yl)sulfonyl-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(3-methylthiophen-2-yl)sulfonyl-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID155873266
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC Name8-(3-methylthiophen-2-yl)sulfonyl-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccsc1S(=O)(=O)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1
InChIInChI=1S/C19H23N3O3S2/c1-15-5-12-26-18(15)27(24,25)21-10-7-19(8-11-21)6-4-17(23)22(19)14-16-3-2-9-20-13-16/h2-3,5,9,12-13H,4,6-8,10-11,14H2,1H3
InChIKeyGTFSXSXCSNLZGA-UHFFFAOYSA-N
XLogP2.80
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(3-methylthiophen-2-yl)sulfonyl-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

(5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485089
8-(2,2-dimethylpropanoyl)-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 155873980
8-[(1-methylimidazol-2-yl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493833
8-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493832
(5S)-9-(5-fluoropyrimidin-2-yl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485087
(5R)-9-(3-methoxypropanoyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485114
1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131663162
8-[(5-methylfuran-2-yl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155848726
1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 134076661
9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 118743992
8-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155838684
9-(3-methoxypropanoyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155841882

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylthiophen-2-yl)sulfonyl-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(3-methylthiophen-2-yl)sulfonyl-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 155873266) is 8-(3-methylthiophen-2-yl)sulfonyl-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(3-methylthiophen-2-yl)sulfonyl-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(3-methylthiophen-2-yl)sulfonyl-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is Cc1ccsc1S(=O)(=O)N1CCC2(CCC(=O)N2Cc2cccnc2)CC1.
What is the InChIKey of 8-(3-methylthiophen-2-yl)sulfonyl-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is GTFSXSXCSNLZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c1-15-5-12-26-18(15)27(24,25)21-10-7-19(8-11-21)6-4-17(23)22(19)14-16-3-2-9-20-13-16/h2-3,5,9,12-13H,4,6-8,10-11,14H2,1H3.
What are the key properties of 8-(3-methylthiophen-2-yl)sulfonyl-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
8-(3-methylthiophen-2-yl)sulfonyl-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 405.55 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylthiophen-2-yl)sulfonyl-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 155873266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).