N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

C25H34N4O6S — CID 146524442

IUPACN-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)NC(=O)C21CCOCC1)[C@@H](NC(=O)N1CCS(=O)(=O)CC1)C1CCCCC1
InChIInChI=1S/C25H34N4O6S/c30-22(26-18-6-7-19-20(16-18)27-23(31)25(19)8-12-35-13-9-25)21(17-4-2-1-3-5-17)28-24(32)29-10-14-36(33,34)15-11-29/h6-7,16-17,21H,1-5,8-15H2,(H,26,30)(H,27,31)(H,28,32)/t21-/m0/s1
InChIKeyYLKOSXOCBZXTQI-NRFANRHFSA-N
MW518.64 g/mol
LogP2.01
Rot. Bonds4

About N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 146524442) has the molecular formula C25H34N4O6S and a molecular weight of 518.64 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID146524442
Molecular FormulaC25H34N4O6S
Molecular Weight518.64 g/mol
Exact Mass518.22
IUPAC NameN-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)NC(=O)C21CCOCC1)[C@@H](NC(=O)N1CCS(=O)(=O)CC1)C1CCCCC1
InChIInChI=1S/C25H34N4O6S/c30-22(26-18-6-7-19-20(16-18)27-23(31)25(19)8-12-35-13-9-25)21(17-4-2-1-3-5-17)28-24(32)29-10-14-36(33,34)15-11-29/h6-7,16-17,21H,1-5,8-15H2,(H,26,30)(H,27,31)(H,28,32)/t21-/m0/s1
InChIKeyYLKOSXOCBZXTQI-NRFANRHFSA-N
XLogP2.01
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.64
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide with MolForge

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Related Compounds

2-methoxyethyl N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate
CID 146524623
N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-(difluoromethyl)-5-methylpyrazole-3-carboxamide
CID 146524617
2-cyclooctyl-2-[(5-methyl-2-pyridinyl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide
CID 146524592
1,2-oxazol-5-ylmethyl N-[1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate
CID 146524411
ethyl 2-cyclohexyl-3-oxo-3-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]propanoate
CID 146524632
2-cyclooctyl-2-(imidazo[1,2-b]pyridazin-6-ylamino)-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide
CID 146524577
(2S)-2-cyclohexyl-2-[(5-methyl-1,3-benzoxazol-2-yl)amino]-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)acetamide
CID 146524571
1-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-2-oxospiro[indole-3,4'-oxane]-6-carboxamide
CID 146524452
3-methyl-N-[1-(3-methylcyclopentyl)-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
CID 146524352
N-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide
CID 142495242
(2R)-2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrrolidine-1-carboxamide
CID 146524739
N'-methyl-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)ethanimidamide
CID 134356299

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 146524442) is N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is O=C(Nc1ccc2c(c1)NC(=O)C21CCOCC1)[C@@H](NC(=O)N1CCS(=O)(=O)CC1)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is YLKOSXOCBZXTQI-NRFANRHFSA-N. The full InChI is InChI=1S/C25H34N4O6S/c30-22(26-18-6-7-19-20(16-18)27-23(31)25(19)8-12-35-13-9-25)21(17-4-2-1-3-5-17)28-24(32)29-10-14-36(33,34)15-11-29/h6-7,16-17,21H,1-5,8-15H2,(H,26,30)(H,27,31)(H,28,32)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 518.64 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexyl-2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 146524442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).