4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one

C11H18N2O2S — CID 110197134

IUPAC4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CS(=O)C2(CCNCC2)N1CC1CC1
InChIInChI=1S/C11H18N2O2S/c14-10-8-16(15)11(3-5-12-6-4-11)13(10)7-9-1-2-9/h9,12H,1-8H2
InChIKeyOTTKLOPOYWPYLQ-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.07
Rot. Bonds2

About 4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one

4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 110197134) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID110197134
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CS(=O)C2(CCNCC2)N1CC1CC1
InChIInChI=1S/C11H18N2O2S/c14-10-8-16(15)11(3-5-12-6-4-11)13(10)7-9-1-2-9/h9,12H,1-8H2
InChIKeyOTTKLOPOYWPYLQ-UHFFFAOYSA-N
XLogP0.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (CID 110197134) is 4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is O=C1CS(=O)C2(CCNCC2)N1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is OTTKLOPOYWPYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c14-10-8-16(15)11(3-5-12-6-4-11)13(10)7-9-1-2-9/h9,12H,1-8H2.
What are the key properties of 4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 242.34 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 110197134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).