3-[2-methylpropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide

C15H28N2OS — CID 79905947

IUPAC3-[2-methylpropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide
SMILESCC(C)CN(CCC(N)=S)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H28N2OS/c1-12(2)11-17(8-4-14(16)19)13-5-9-18-15(10-13)6-3-7-15/h12-13H,3-11H2,1-2H3,(H2,16,19)
InChIKeyKHSOKHOZPSREOD-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.72
Rot. Bonds6

About 3-[2-methylpropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide

3-[2-methylpropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide (PubChem CID 79905947) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 3-[2-methylpropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide.

Molecular Properties

Compound Name3-[2-methylpropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide
PubChem CID79905947
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name3-[2-methylpropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide
SMILESCC(C)CN(CCC(N)=S)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H28N2OS/c1-12(2)11-17(8-4-14(16)19)13-5-9-18-15(10-13)6-3-7-15/h12-13H,3-11H2,1-2H3,(H2,16,19)
InChIKeyKHSOKHOZPSREOD-UHFFFAOYSA-N
XLogP2.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-methylpropyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanethioamide
CID 79906024
3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide
CID 79905733
3-[1,9-dioxaspiro[5.5]undecan-4-yl(2-methylpropyl)amino]propanimidamide
CID 79902458
3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 79902214
3-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-2-methylpropanimidamide
CID 79905622
N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79897597
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]ethanol
CID 79919770
2-[ethyl(5-oxaspiro[3.5]nonan-8-yl)amino]-N'-hydroxyethanimidamide
CID 79906347
2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79920437
3-[cyclopropyl(2-methylbutyl)amino]propanethioamide
CID 62104556
N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898283
N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79920705

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide?
The IUPAC name of 3-[2-methylpropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide (CID 79905947) is 3-[2-methylpropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide.
What is the SMILES notation for 3-[2-methylpropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide?
The canonical SMILES for 3-[2-methylpropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide is CC(C)CN(CCC(N)=S)C1CCOC2(CCC2)C1.
What is the InChIKey of 3-[2-methylpropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide?
The InChIKey is KHSOKHOZPSREOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-12(2)11-17(8-4-14(16)19)13-5-9-18-15(10-13)6-3-7-15/h12-13H,3-11H2,1-2H3,(H2,16,19).
What are the key properties of 3-[2-methylpropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide?
3-[2-methylpropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide has a molecular weight of 284.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide is sourced from PubChem (CID 79905947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).