N-cyclohexyl-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C15H23N3O5S — CID 91892499

IUPACN-cyclohexyl-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)NC1CCCCC1
InChIInChI=1S/C15H23N3O5S/c19-12(16-11-4-2-1-3-5-11)10-18-13(20)15(17-14(18)21)6-8-24(22,23)9-7-15/h11H,1-10H2,(H,16,19)(H,17,21)
InChIKeyCUFQXXRRZQRGGI-UHFFFAOYSA-N
MW357.43 g/mol
LogP-0.07
Rot. Bonds3

About N-cyclohexyl-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-cyclohexyl-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 91892499) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID91892499
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC NameN-cyclohexyl-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)NC1CCCCC1
InChIInChI=1S/C15H23N3O5S/c19-12(16-11-4-2-1-3-5-11)10-18-13(20)15(17-14(18)21)6-8-24(22,23)9-7-15/h11H,1-10H2,(H,16,19)(H,17,21)
InChIKeyCUFQXXRRZQRGGI-UHFFFAOYSA-N
XLogP-0.07
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 91892499) is N-cyclohexyl-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is CUFQXXRRZQRGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S/c19-12(16-11-4-2-1-3-5-11)10-18-13(20)15(17-14(18)21)6-8-24(22,23)9-7-15/h11H,1-10H2,(H,16,19)(H,17,21).
What are the key properties of N-cyclohexyl-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-cyclohexyl-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 357.43 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 91892499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).