(1R,6S)-N-ethyl-8,8-dioxo-1-[(4-phenylcyclohexyl)oxymethyl]-11-oxa-8λ6-thia-2,7-diazaspiro[5.6]dodecane-2-carboxamide

C24H37N3O5S — CID 170774843

IUPAC(1R,6S)-N-ethyl-8,8-dioxo-1-[(4-phenylcyclohexyl)oxymethyl]-11-oxa-8λ6-thia-2,7-diazaspiro[5.6]dodecane-2-carboxamide
SMILESCCNC(=O)N1CCC[C@@]2(COCCS(=O)(=O)N2)[C@@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H37N3O5S/c1-2-25-23(28)27-14-6-13-24(18-31-15-16-33(29,30)26-24)22(27)17-32-21-11-9-20(10-12-21)19-7-4-3-5-8-19/h3-5,7-8,20-22,26H,2,6,9-18H2,1H3,(H,25,28)/t20?,21?,22-,24+/m0/s1
InChIKeyZTZIYLVFBILRSI-WNACPCLMSA-N
MW479.64 g/mol
LogP2.61
Rot. Bonds5

About (1R,6S)-N-ethyl-8,8-dioxo-1-[(4-phenylcyclohexyl)oxymethyl]-11-oxa-8λ6-thia-2,7-diazaspiro[5.6]dodecane-2-carboxamide

(1R,6S)-N-ethyl-8,8-dioxo-1-[(4-phenylcyclohexyl)oxymethyl]-11-oxa-8λ6-thia-2,7-diazaspiro[5.6]dodecane-2-carboxamide (PubChem CID 170774843) has the molecular formula C24H37N3O5S and a molecular weight of 479.64 g/mol. Its IUPAC name is (1R,6S)-N-ethyl-8,8-dioxo-1-[(4-phenylcyclohexyl)oxymethyl]-11-oxa-8λ6-thia-2,7-diazaspiro[5.6]dodecane-2-carboxamide.

Molecular Properties

Compound Name(1R,6S)-N-ethyl-8,8-dioxo-1-[(4-phenylcyclohexyl)oxymethyl]-11-oxa-8λ6-thia-2,7-diazaspiro[5.6]dodecane-2-carboxamide
PubChem CID170774843
Molecular FormulaC24H37N3O5S
Molecular Weight479.64 g/mol
Exact Mass479.25
IUPAC Name(1R,6S)-N-ethyl-8,8-dioxo-1-[(4-phenylcyclohexyl)oxymethyl]-11-oxa-8λ6-thia-2,7-diazaspiro[5.6]dodecane-2-carboxamide
SMILESCCNC(=O)N1CCC[C@@]2(COCCS(=O)(=O)N2)[C@@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H37N3O5S/c1-2-25-23(28)27-14-6-13-24(18-31-15-16-33(29,30)26-24)22(27)17-32-21-11-9-20(10-12-21)19-7-4-3-5-8-19/h3-5,7-8,20-22,26H,2,6,9-18H2,1H3,(H,25,28)/t20?,21?,22-,24+/m0/s1
InChIKeyZTZIYLVFBILRSI-WNACPCLMSA-N
XLogP2.61
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.64
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R,6S)-N-ethyl-8,8-dioxo-1-[(4-phenylcyclohexyl)oxymethyl]-11-oxa-8λ6-thia-2,7-diazaspiro[5.6]dodecane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,6S)-N-ethyl-8,8-dioxo-1-[(4-phenylcyclohexyl)oxymethyl]-11-oxa-8λ6-thia-2,7-diazaspiro[5.6]dodecane-2-carboxamide?
The IUPAC name of (1R,6S)-N-ethyl-8,8-dioxo-1-[(4-phenylcyclohexyl)oxymethyl]-11-oxa-8λ6-thia-2,7-diazaspiro[5.6]dodecane-2-carboxamide (CID 170774843) is (1R,6S)-N-ethyl-8,8-dioxo-1-[(4-phenylcyclohexyl)oxymethyl]-11-oxa-8λ6-thia-2,7-diazaspiro[5.6]dodecane-2-carboxamide.
What is the SMILES notation for (1R,6S)-N-ethyl-8,8-dioxo-1-[(4-phenylcyclohexyl)oxymethyl]-11-oxa-8λ6-thia-2,7-diazaspiro[5.6]dodecane-2-carboxamide?
The canonical SMILES for (1R,6S)-N-ethyl-8,8-dioxo-1-[(4-phenylcyclohexyl)oxymethyl]-11-oxa-8λ6-thia-2,7-diazaspiro[5.6]dodecane-2-carboxamide is CCNC(=O)N1CCC[C@@]2(COCCS(=O)(=O)N2)[C@@H]1COC1CCC(c2ccccc2)CC1.
What is the InChIKey of (1R,6S)-N-ethyl-8,8-dioxo-1-[(4-phenylcyclohexyl)oxymethyl]-11-oxa-8λ6-thia-2,7-diazaspiro[5.6]dodecane-2-carboxamide?
The InChIKey is ZTZIYLVFBILRSI-WNACPCLMSA-N. The full InChI is InChI=1S/C24H37N3O5S/c1-2-25-23(28)27-14-6-13-24(18-31-15-16-33(29,30)26-24)22(27)17-32-21-11-9-20(10-12-21)19-7-4-3-5-8-19/h3-5,7-8,20-22,26H,2,6,9-18H2,1H3,(H,25,28)/t20?,21?,22-,24+/m0/s1.
What are the key properties of (1R,6S)-N-ethyl-8,8-dioxo-1-[(4-phenylcyclohexyl)oxymethyl]-11-oxa-8λ6-thia-2,7-diazaspiro[5.6]dodecane-2-carboxamide?
(1R,6S)-N-ethyl-8,8-dioxo-1-[(4-phenylcyclohexyl)oxymethyl]-11-oxa-8λ6-thia-2,7-diazaspiro[5.6]dodecane-2-carboxamide has a molecular weight of 479.64 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-N-ethyl-8,8-dioxo-1-[(4-phenylcyclohexyl)oxymethyl]-11-oxa-8λ6-thia-2,7-diazaspiro[5.6]dodecane-2-carboxamide is sourced from PubChem (CID 170774843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).