N-methyl-3-(1-thia-4-azaspiro[5.5]undecan-4-yl)propanamide

C13H24N2OS — CID 71976333

IUPACN-methyl-3-(1-thia-4-azaspiro[5.5]undecan-4-yl)propanamide
SMILESCNC(=O)CCN1CCSC2(CCCCC2)C1
InChIInChI=1S/C13H24N2OS/c1-14-12(16)5-8-15-9-10-17-13(11-15)6-3-2-4-7-13/h2-11H2,1H3,(H,14,16)
InChIKeyOXFDQEREQYEQNH-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.87
Rot. Bonds3

About N-methyl-3-(1-thia-4-azaspiro[5.5]undecan-4-yl)propanamide

N-methyl-3-(1-thia-4-azaspiro[5.5]undecan-4-yl)propanamide (PubChem CID 71976333) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-methyl-3-(1-thia-4-azaspiro[5.5]undecan-4-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(1-thia-4-azaspiro[5.5]undecan-4-yl)propanamide
PubChem CID71976333
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-methyl-3-(1-thia-4-azaspiro[5.5]undecan-4-yl)propanamide
SMILESCNC(=O)CCN1CCSC2(CCCCC2)C1
InChIInChI=1S/C13H24N2OS/c1-14-12(16)5-8-15-9-10-17-13(11-15)6-3-2-4-7-13/h2-11H2,1H3,(H,14,16)
InChIKeyOXFDQEREQYEQNH-UHFFFAOYSA-N
XLogP1.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide
CID 71923888
N-propan-2-yl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide
CID 72103318
1-(cyclohexylmethyl)-N-[2-(methylthio)ethyl]-6-oxo-3-piperidinecarboxamide
CID 45209171
N-[1-(cyclohexylmethyl)-3-piperidinyl]-3-(methylthio)propanamide
CID 45241164
N-[(1-methylpiperidin-3-yl)methyl]-2-(propylthio)acetamide
CID 56712573
N-[2-(ethylthio)-1-methylethyl]-3-(4-methylpiperidin-1-yl)-3-oxopropan-1-amine
CID 56721562
N-[4-[[tert-butyl(dimethyl)-lambda4-sulfanyl]methyl]cyclohexyl]-N-ethylpiperidine-3-carboxamide
CID 126761811
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylsulfanylpropanamide
CID 42379951
N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylsulfanylpropanamide
CID 42379954
N-(1-azaspiro[5.5]undecan-4-yl)-3-methylsulfanylpropanamide
CID 43595694
N-(1-azaspiro[5.5]undecan-4-yl)-2-tert-butylsulfanylacetamide
CID 43595695
N-(2-cyclohexylsulfanylethyl)-1-methylpiperidine-3-carboxamide
CID 50874508

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-thia-4-azaspiro[5.5]undecan-4-yl)propanamide?
The IUPAC name of N-methyl-3-(1-thia-4-azaspiro[5.5]undecan-4-yl)propanamide (CID 71976333) is N-methyl-3-(1-thia-4-azaspiro[5.5]undecan-4-yl)propanamide.
What is the SMILES notation for N-methyl-3-(1-thia-4-azaspiro[5.5]undecan-4-yl)propanamide?
The canonical SMILES for N-methyl-3-(1-thia-4-azaspiro[5.5]undecan-4-yl)propanamide is CNC(=O)CCN1CCSC2(CCCCC2)C1.
What is the InChIKey of N-methyl-3-(1-thia-4-azaspiro[5.5]undecan-4-yl)propanamide?
The InChIKey is OXFDQEREQYEQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-14-12(16)5-8-15-9-10-17-13(11-15)6-3-2-4-7-13/h2-11H2,1H3,(H,14,16).
What are the key properties of N-methyl-3-(1-thia-4-azaspiro[5.5]undecan-4-yl)propanamide?
N-methyl-3-(1-thia-4-azaspiro[5.5]undecan-4-yl)propanamide has a molecular weight of 256.41 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-thia-4-azaspiro[5.5]undecan-4-yl)propanamide is sourced from PubChem (CID 71976333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).