4-[2-(1H-indol-3-yl)ethyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

C18H23N3OS — CID 87890526

IUPAC4-[2-(1H-indol-3-yl)ethyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)SCC(=O)N2CCc1c[nH]c2ccccc12
InChIInChI=1S/C18H23N3OS/c1-20-10-7-18(8-11-20)21(17(22)13-23-18)9-6-14-12-19-16-5-3-2-4-15(14)16/h2-5,12,19H,6-11,13H2,1H3
InChIKeySDDMVXGMKOBDCH-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.71
Rot. Bonds3

About 4-[2-(1H-indol-3-yl)ethyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one

4-[2-(1H-indol-3-yl)ethyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 87890526) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 4-[2-(1H-indol-3-yl)ethyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-[2-(1H-indol-3-yl)ethyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID87890526
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name4-[2-(1H-indol-3-yl)ethyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)SCC(=O)N2CCc1c[nH]c2ccccc12
InChIInChI=1S/C18H23N3OS/c1-20-10-7-18(8-11-20)21(17(22)13-23-18)9-6-14-12-19-16-5-3-2-4-15(14)16/h2-5,12,19H,6-11,13H2,1H3
InChIKeySDDMVXGMKOBDCH-UHFFFAOYSA-N
XLogP2.71
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(1H-indol-3-yl)ethyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

1-[(2R)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one
CID 46846426
3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
CID 78909578
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
N-benzyl-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361539
4-ethyl-9-[2-(1H-indol-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 20537388
2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione
CID 3775891
N-(2,6-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361531
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
7-[2-(1H-indol-3-yl)ethyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 176503269
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-3-yl)ethyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-[2-(1H-indol-3-yl)ethyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 87890526) is 4-[2-(1H-indol-3-yl)ethyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-[2-(1H-indol-3-yl)ethyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-[2-(1H-indol-3-yl)ethyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is CN1CCC2(CC1)SCC(=O)N2CCc1c[nH]c2ccccc12.
What is the InChIKey of 4-[2-(1H-indol-3-yl)ethyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is SDDMVXGMKOBDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-20-10-7-18(8-11-20)21(17(22)13-23-18)9-6-14-12-19-16-5-3-2-4-15(14)16/h2-5,12,19H,6-11,13H2,1H3.
What are the key properties of 4-[2-(1H-indol-3-yl)ethyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
4-[2-(1H-indol-3-yl)ethyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 329.47 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-3-yl)ethyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 87890526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).