(1S)-4-(2-methoxyethyl)-1,3-dioxo-N-(2-phenylethyl)-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

C19H27N3O4S — CID 99763040

IUPAC(1S)-4-(2-methoxyethyl)-1,3-dioxo-N-(2-phenylethyl)-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOCCN1C(=O)C[S@](=O)C12CCN(C(=O)NCCc1ccccc1)CC2
InChIInChI=1S/C19H27N3O4S/c1-26-14-13-22-17(23)15-27(25)19(22)8-11-21(12-9-19)18(24)20-10-7-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3,(H,20,24)/t27-/m0/s1
InChIKeySNNOXTJYOAOZQD-MHZLTWQESA-N
MW393.51 g/mol
LogP0.97
Rot. Bonds6

About (1S)-4-(2-methoxyethyl)-1,3-dioxo-N-(2-phenylethyl)-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

(1S)-4-(2-methoxyethyl)-1,3-dioxo-N-(2-phenylethyl)-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 99763040) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is (1S)-4-(2-methoxyethyl)-1,3-dioxo-N-(2-phenylethyl)-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name(1S)-4-(2-methoxyethyl)-1,3-dioxo-N-(2-phenylethyl)-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID99763040
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name(1S)-4-(2-methoxyethyl)-1,3-dioxo-N-(2-phenylethyl)-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOCCN1C(=O)C[S@](=O)C12CCN(C(=O)NCCc1ccccc1)CC2
InChIInChI=1S/C19H27N3O4S/c1-26-14-13-22-17(23)15-27(25)19(22)8-11-21(12-9-19)18(24)20-10-7-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3,(H,20,24)/t27-/m0/s1
InChIKeySNNOXTJYOAOZQD-MHZLTWQESA-N
XLogP0.97
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluorobenzyl)-N-isobutyl-1,3-dioxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 91920562
N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113036
4-(2-Methoxyethyl)-3-oxo-N-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 1-oxide
CID 91909786
Ethyl N-[(4-benzyl-1,1-dioxido-3-oxo-1-thia-4,8-diazaspiro[4.5]dec-8-YL)carbonyl]glycinate
CID 124078474
Methyl N-[(4-benzyl-1,1-dioxido-3-oxo-1-thia-4,8-diazaspiro[4.5]dec-8-YL)carbonyl]glycinate
CID 124078475
(2S)-2-methyl-N-[2-(2-phenylethylsulfonyl)ethyl]morpholine-4-carboxamide
CID 124850865
1-[2-(2-fluorophenyl)ethyl]-3-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
CID 38360498
1-[2-(2-fluorophenyl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
CID 38360502
1-[2-(2-Fluorophenyl)ethyl]-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 60446024
1-(1,1-Dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
CID 108900079
1-(1,1-Dioxothiolan-3-yl)-3-[2-(3-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
CID 108901231
1-(1,1-Dioxothiolan-3-yl)-3-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
CID 108902140

Frequently Asked Questions

What is the IUPAC name of (1S)-4-(2-methoxyethyl)-1,3-dioxo-N-(2-phenylethyl)-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of (1S)-4-(2-methoxyethyl)-1,3-dioxo-N-(2-phenylethyl)-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 99763040) is (1S)-4-(2-methoxyethyl)-1,3-dioxo-N-(2-phenylethyl)-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for (1S)-4-(2-methoxyethyl)-1,3-dioxo-N-(2-phenylethyl)-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for (1S)-4-(2-methoxyethyl)-1,3-dioxo-N-(2-phenylethyl)-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is COCCN1C(=O)C[S@](=O)C12CCN(C(=O)NCCc1ccccc1)CC2.
What is the InChIKey of (1S)-4-(2-methoxyethyl)-1,3-dioxo-N-(2-phenylethyl)-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is SNNOXTJYOAOZQD-MHZLTWQESA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-26-14-13-22-17(23)15-27(25)19(22)8-11-21(12-9-19)18(24)20-10-7-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3,(H,20,24)/t27-/m0/s1.
What are the key properties of (1S)-4-(2-methoxyethyl)-1,3-dioxo-N-(2-phenylethyl)-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
(1S)-4-(2-methoxyethyl)-1,3-dioxo-N-(2-phenylethyl)-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-(2-methoxyethyl)-1,3-dioxo-N-(2-phenylethyl)-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 99763040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).