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

C17H32N2OS — CID 46846801

IUPAC1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)N1CC2(CCN(C)CC2)SC1C
InChIInChI=1S/C17H32N2OS/c1-5-7-15(8-6-2)16(20)19-13-17(21-14(19)3)9-11-18(4)12-10-17/h14-15H,5-13H2,1-4H3
InChIKeyKFBXHAUQVGBQDK-UHFFFAOYSA-N
MW312.52 g/mol
LogP3.59
Rot. Bonds5

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

1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-propylpentan-1-one (PubChem CID 46846801) has the molecular formula C17H32N2OS and a molecular weight of 312.52 g/mol. Its IUPAC name is 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-propylpentan-1-one.

Molecular Properties

Compound Name1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-propylpentan-1-one
PubChem CID46846801
Molecular FormulaC17H32N2OS
Molecular Weight312.52 g/mol
Exact Mass312.22
IUPAC Name1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)N1CC2(CCN(C)CC2)SC1C
InChIInChI=1S/C17H32N2OS/c1-5-7-15(8-6-2)16(20)19-13-17(21-14(19)3)9-11-18(4)12-10-17/h14-15H,5-13H2,1-4H3
InChIKeyKFBXHAUQVGBQDK-UHFFFAOYSA-N
XLogP3.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.52
LogP ≤ 53.59
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)-2-propylpentan-1-one?
The IUPAC name of 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-propylpentan-1-one (CID 46846801) is 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-propylpentan-1-one.
What is the SMILES notation for 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-propylpentan-1-one?
The canonical SMILES for 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-propylpentan-1-one is CCCC(CCC)C(=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)-2-propylpentan-1-one?
The InChIKey is KFBXHAUQVGBQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2OS/c1-5-7-15(8-6-2)16(20)19-13-17(21-14(19)3)9-11-18(4)12-10-17/h14-15H,5-13H2,1-4H3.
What are the key properties of 1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-propylpentan-1-one?
1-(2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-propylpentan-1-one has a molecular weight of 312.52 g/mol, XLogP of 3.59, 5 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)-2-propylpentan-1-one is sourced from PubChem (CID 46846801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).