4,8-dimethyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

C14H24N2O2S — CID 18738818

IUPAC4,8-dimethyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCCC(=O)CC1SC2(CCN(C)CC2)N(C)C1=O
InChIInChI=1S/C14H24N2O2S/c1-4-5-11(17)10-12-13(18)16(3)14(19-12)6-8-15(2)9-7-14/h12H,4-10H2,1-3H3
InChIKeyFKVIHIDLNXQFRS-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.74
Rot. Bonds4

About 4,8-dimethyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

4,8-dimethyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 18738818) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4,8-dimethyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4,8-dimethyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID18738818
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4,8-dimethyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCCC(=O)CC1SC2(CCN(C)CC2)N(C)C1=O
InChIInChI=1S/C14H24N2O2S/c1-4-5-11(17)10-12-13(18)16(3)14(19-12)6-8-15(2)9-7-14/h12H,4-10H2,1-3H3
InChIKeyFKVIHIDLNXQFRS-UHFFFAOYSA-N
XLogP1.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 18738820
2-ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 22097515
1-(1-methylpiperidin-4-yl)pentan-2-one
CID 58553181
(2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154731017
2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrate
CID 174160296
2-[8-(2,2-dimethylpropanoyloxy)-4-dodecyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]acetic acid
CID 15955386
but-2-enedioic acid;2-ethyl-8-methyl-1-oxa-8-azaspiro[4.5]decan-3-one
CID 67712275
N-(4-methylpiperazin-1-yl)butanamide
CID 4129194
2-[8-(2,6-diaminohexanoyl)-4-dodecyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]acetic acid;dihydrochloride
CID 164616656
1-[1-methyl-4-(3-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]butan-1-one
CID 142174100
N-[(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]acetamide
CID 85100157
(1-methyl-4-phenylpiperidin-4-yl) butanoate;hydrochloride
CID 21125426

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4,8-dimethyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 18738818) is 4,8-dimethyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4,8-dimethyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4,8-dimethyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is CCCC(=O)CC1SC2(CCN(C)CC2)N(C)C1=O.
What is the InChIKey of 4,8-dimethyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is FKVIHIDLNXQFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-5-11(17)10-12-13(18)16(3)14(19-12)6-8-15(2)9-7-14/h12H,4-10H2,1-3H3.
What are the key properties of 4,8-dimethyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
4,8-dimethyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 284.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 18738818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).