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

C12H22N2OS — CID 46846805

IUPAC1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one
SMILESCCC(=O)N1CC2(CCN(C)CC2)SC1C
InChIInChI=1S/C12H22N2OS/c1-4-11(15)14-9-12(16-10(14)2)5-7-13(3)8-6-12/h10H,4-9H2,1-3H3
InChIKeyAZTGONSMBQKSJS-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.78
Rot. Bonds1

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

1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one (PubChem CID 46846805) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one
PubChem CID46846805
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one
SMILESCCC(=O)N1CC2(CCN(C)CC2)SC1C
InChIInChI=1S/C12H22N2OS/c1-4-11(15)14-9-12(16-10(14)2)5-7-13(3)8-6-12/h10H,4-9H2,1-3H3
InChIKeyAZTGONSMBQKSJS-UHFFFAOYSA-N
XLogP1.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one?
The IUPAC name of 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one (CID 46846805) is 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one.
What is the SMILES notation for 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one?
The canonical SMILES for 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one is CCC(=O)N1CC2(CCN(C)CC2)SC1C.
What is the InChIKey of 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one?
The InChIKey is AZTGONSMBQKSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-11(15)14-9-12(16-10(14)2)5-7-13(3)8-6-12/h10H,4-9H2,1-3H3.
What are the key properties of 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one?
1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one has a molecular weight of 242.39 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)propan-1-one is sourced from PubChem (CID 46846805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).