N-propyl-3-azaspiro[5.5]undecane-3-carbothioamide

C14H26N2S — CID 115605184

IUPACN-propyl-3-azaspiro[5.5]undecane-3-carbothioamide
SMILESCCCNC(=S)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C14H26N2S/c1-2-10-15-13(17)16-11-8-14(9-12-16)6-4-3-5-7-14/h2-12H2,1H3,(H,15,17)
InChIKeyMNOWEESXWHVJMI-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.32
Rot. Bonds2

About N-propyl-3-azaspiro[5.5]undecane-3-carbothioamide

N-propyl-3-azaspiro[5.5]undecane-3-carbothioamide (PubChem CID 115605184) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-propyl-3-azaspiro[5.5]undecane-3-carbothioamide.

Molecular Properties

Compound NameN-propyl-3-azaspiro[5.5]undecane-3-carbothioamide
PubChem CID115605184
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-propyl-3-azaspiro[5.5]undecane-3-carbothioamide
SMILESCCCNC(=S)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C14H26N2S/c1-2-10-15-13(17)16-11-8-14(9-12-16)6-4-3-5-7-14/h2-12H2,1H3,(H,15,17)
InChIKeyMNOWEESXWHVJMI-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-propylazepane-1-carbothioamide
CID 19654131
N-methyl-3-azaspiro[5.5]undecane-3-carbothioamide
CID 115605189
N-butylazetidine-1-carbothioamide
CID 115576699
N-pentylpyrrolidine-1-carbothioamide
CID 127515670
2-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propylacetamide;hydroiodide
CID 111744212
3-methyl-N-propylpyrrolidine-1-carbothioamide
CID 115601990
N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744345
4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide
CID 66428881
3-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)propan-1-ol
CID 64791856
N-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide
CID 115570995
1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one
CID 62930046
N-(3-methylsulfanylpropyl)azepane-1-carbothioamide
CID 43384650

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-azaspiro[5.5]undecane-3-carbothioamide?
The IUPAC name of N-propyl-3-azaspiro[5.5]undecane-3-carbothioamide (CID 115605184) is N-propyl-3-azaspiro[5.5]undecane-3-carbothioamide.
What is the SMILES notation for N-propyl-3-azaspiro[5.5]undecane-3-carbothioamide?
The canonical SMILES for N-propyl-3-azaspiro[5.5]undecane-3-carbothioamide is CCCNC(=S)N1CCC2(CCCCC2)CC1.
What is the InChIKey of N-propyl-3-azaspiro[5.5]undecane-3-carbothioamide?
The InChIKey is MNOWEESXWHVJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-2-10-15-13(17)16-11-8-14(9-12-16)6-4-3-5-7-14/h2-12H2,1H3,(H,15,17).
What are the key properties of N-propyl-3-azaspiro[5.5]undecane-3-carbothioamide?
N-propyl-3-azaspiro[5.5]undecane-3-carbothioamide has a molecular weight of 254.44 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-azaspiro[5.5]undecane-3-carbothioamide is sourced from PubChem (CID 115605184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).