4-propan-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one

C10H18N2OS — CID 134389583

IUPAC4-propan-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)N1C(=O)CSC12CCNCC2
InChIInChI=1S/C10H18N2OS/c1-8(2)12-9(13)7-14-10(12)3-5-11-6-4-10/h8,11H,3-7H2,1-2H3
InChIKeyOITVUTKDQXDSIS-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.05
Rot. Bonds1

About 4-propan-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one

4-propan-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 134389583) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-propan-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-propan-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID134389583
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4-propan-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)N1C(=O)CSC12CCNCC2
InChIInChI=1S/C10H18N2OS/c1-8(2)12-9(13)7-14-10(12)3-5-11-6-4-10/h8,11H,3-7H2,1-2H3
InChIKeyOITVUTKDQXDSIS-UHFFFAOYSA-N
XLogP1.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-propan-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 134389583) is 4-propan-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-propan-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-propan-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one is CC(C)N1C(=O)CSC12CCNCC2.
What is the InChIKey of 4-propan-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is OITVUTKDQXDSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8(2)12-9(13)7-14-10(12)3-5-11-6-4-10/h8,11H,3-7H2,1-2H3.
What are the key properties of 4-propan-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one?
4-propan-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 214.33 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 134389583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).