3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

C10H16N2O3S — CID 106528289

IUPAC3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCOCC2)C(=O)N1CCCS
InChIInChI=1S/C10H16N2O3S/c13-8-10(2-5-15-6-3-10)11-9(14)12(8)4-1-7-16/h16H,1-7H2,(H,11,14)
InChIKeyBKQXDIPZOVXQSM-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.41
Rot. Bonds3

About 3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 106528289) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID106528289
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCOCC2)C(=O)N1CCCS
InChIInChI=1S/C10H16N2O3S/c13-8-10(2-5-15-6-3-10)11-9(14)12(8)4-1-7-16/h16H,1-7H2,(H,11,14)
InChIKeyBKQXDIPZOVXQSM-UHFFFAOYSA-N
XLogP0.41
TPSA58.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924546
4-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)butanehydrazide
CID 106528283
3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 86804220
3-ethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924545
5-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)pentanehydrazide
CID 106528280
3-(2-piperidin-4-ylethyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528198
4-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-2-ethylbut-2-enoic acid
CID 106528091
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
3-(3-aminopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 25323207
hydrazinyl 3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoate
CID 106528282
3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103736328
3-(3-aminopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071372

Frequently Asked Questions

What is the IUPAC name of 3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (CID 106528289) is 3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCOCC2)C(=O)N1CCCS.
What is the InChIKey of 3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is BKQXDIPZOVXQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c13-8-10(2-5-15-6-3-10)11-9(14)12(8)4-1-7-16/h16H,1-7H2,(H,11,14).
What are the key properties of 3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 244.32 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 106528289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).