N-ethyl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide

C13H24N2OS — CID 71923888

IUPACN-ethyl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide
SMILESCCNC(=O)CN1CCSC2(CCCCC2)C1
InChIInChI=1S/C13H24N2OS/c1-2-14-12(16)10-15-8-9-17-13(11-15)6-4-3-5-7-13/h2-11H2,1H3,(H,14,16)
InChIKeyAMLULTUERFIMLO-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.87
Rot. Bonds3

About N-ethyl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide

N-ethyl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide (PubChem CID 71923888) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-ethyl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide
PubChem CID71923888
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-ethyl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide
SMILESCCNC(=O)CN1CCSC2(CCCCC2)C1
InChIInChI=1S/C13H24N2OS/c1-2-14-12(16)10-15-8-9-17-13(11-15)6-4-3-5-7-13/h2-11H2,1H3,(H,14,16)
InChIKeyAMLULTUERFIMLO-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

2-(1-thia-4-azaspiro[5.5]undecan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71976339
N-propan-2-yl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide
CID 72103318
N-methyl-3-(1-thia-4-azaspiro[5.5]undecan-4-yl)propanamide
CID 71976333
4-[2-(3-Ethylpentan-3-ylsulfanyl)acetyl]piperazin-2-one
CID 99834815
4-[1-(Butylcarbamoyl)cyclohexyl]-5-oxothiomorpholine-3-carboxamide
CID 135002030
N-[(1-methylsulfanylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 105817720
2-[(1-methylsulfanylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 105821168
N-[1-(4,4-difluorocyclohexyl)ethyl]-2-thiomorpholin-4-ylpropanamide
CID 166241223
N-(1-cyclohexyl-2,2-difluoroethyl)-2-thiomorpholin-4-ylpropanamide
CID 166245621
N-[1-(cyclohexylmethyl)-3-piperidinyl]-3-(methylthio)propanamide
CID 45241164
N-cyclopropyl-N-ethyl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide
CID 72103317
4-(Cyclohexylmethyl)-6-(methylamino)-1,4-thiazepan-5-one
CID 22985032

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide?
The IUPAC name of N-ethyl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide (CID 71923888) is N-ethyl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide?
The canonical SMILES for N-ethyl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide is CCNC(=O)CN1CCSC2(CCCCC2)C1.
What is the InChIKey of N-ethyl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide?
The InChIKey is AMLULTUERFIMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-2-14-12(16)10-15-8-9-17-13(11-15)6-4-3-5-7-13/h2-11H2,1H3,(H,14,16).
What are the key properties of N-ethyl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide?
N-ethyl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide 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-ethyl-2-(1-thia-4-azaspiro[5.5]undecan-4-yl)acetamide is sourced from PubChem (CID 71923888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).