N-[(1R)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

C16H22N2O4S — CID 95573084

IUPACN-[(1R)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCCOc1cccc2c1CC[C@H]2NC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C16H22N2O4S/c1-2-22-15-5-3-4-12-13(15)6-7-14(12)17-16(19)18-8-10-23(20,21)11-9-18/h3-5,14H,2,6-11H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyDGJGVRBNBJVVGI-CQSZACIVSA-N
MW338.43 g/mol
LogP1.51
Rot. Bonds3

About N-[(1R)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[(1R)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 95573084) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[(1R)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID95573084
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-[(1R)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCCOc1cccc2c1CC[C@H]2NC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C16H22N2O4S/c1-2-22-15-5-3-4-12-13(15)6-7-14(12)17-16(19)18-8-10-23(20,21)11-9-18/h3-5,14H,2,6-11H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyDGJGVRBNBJVVGI-CQSZACIVSA-N
XLogP1.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 127713950
N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
CID 99832022
1-[(1S)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 97219009
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(4-ethoxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 75372843
N-(4-ethoxy-2,3-dihydro-1H-inden-1-yl)-3-fluoropropane-1-sulfonamide
CID 71976660
4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63091187
N-[(7S)-4-chloro-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 50943622
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methoxyethyl)acetamide
CID 63091727
N-cyclopropyl-N-ethyl-2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]acetamide
CID 63091355
4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 65175864
N-ethyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanamide
CID 63091539
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[(1R)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 95573084) is N-[(1R)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[(1R)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[(1R)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is CCOc1cccc2c1CC[C@H]2NC(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[(1R)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is DGJGVRBNBJVVGI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-2-22-15-5-3-4-12-13(15)6-7-14(12)17-16(19)18-8-10-23(20,21)11-9-18/h3-5,14H,2,6-11H2,1H3,(H,17,19)/t14-/m1/s1.
What are the key properties of N-[(1R)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[(1R)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 95573084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).