N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)adamantane-1-carboxamide

C21H32N2O2S — CID 71459785

IUPACN-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)adamantane-1-carboxamide
SMILESCC1CCC2(CC1)SC(C)C(=O)N2NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H32N2O2S/c1-13-3-5-21(6-4-13)23(18(24)14(2)26-21)22-19(25)20-10-15-7-16(11-20)9-17(8-15)12-20/h13-17H,3-12H2,1-2H3,(H,22,25)
InChIKeyJDXGCWZADJHICA-UHFFFAOYSA-N
MW376.57 g/mol
LogP4.10
Rot. Bonds2

About N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)adamantane-1-carboxamide

N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)adamantane-1-carboxamide (PubChem CID 71459785) has the molecular formula C21H32N2O2S and a molecular weight of 376.57 g/mol. Its IUPAC name is N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)adamantane-1-carboxamide
PubChem CID71459785
Molecular FormulaC21H32N2O2S
Molecular Weight376.57 g/mol
Exact Mass376.22
IUPAC NameN-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)adamantane-1-carboxamide
SMILESCC1CCC2(CC1)SC(C)C(=O)N2NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H32N2O2S/c1-13-3-5-21(6-4-13)23(18(24)14(2)26-21)22-19(25)20-10-15-7-16(11-20)9-17(8-15)12-20/h13-17H,3-12H2,1-2H3,(H,22,25)
InChIKeyJDXGCWZADJHICA-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)adamantane-1-carboxamide?
The IUPAC name of N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)adamantane-1-carboxamide (CID 71459785) is N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)adamantane-1-carboxamide is CC1CCC2(CC1)SC(C)C(=O)N2NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)adamantane-1-carboxamide?
The InChIKey is JDXGCWZADJHICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2S/c1-13-3-5-21(6-4-13)23(18(24)14(2)26-21)22-19(25)20-10-15-7-16(11-20)9-17(8-15)12-20/h13-17H,3-12H2,1-2H3,(H,22,25).
What are the key properties of N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)adamantane-1-carboxamide?
N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)adamantane-1-carboxamide has a molecular weight of 376.57 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)adamantane-1-carboxamide is sourced from PubChem (CID 71459785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).