3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide

C17H24N2O5S — CID 164630095

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide
SMILESCO[C@H]1COCC[C@@H]1NC(=O)c1cccc(N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C17H24N2O5S/c1-23-16-12-24-8-5-15(16)18-17(20)13-3-2-4-14(11-13)19-6-9-25(21,22)10-7-19/h2-4,11,15-16H,5-10,12H2,1H3,(H,18,20)/t15-,16-/m0/s1
InChIKeyVNBLBEADIOQQCN-HOTGVXAUSA-N
MW368.46 g/mol
LogP0.46
Rot. Bonds4

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide

3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide (PubChem CID 164630095) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide
PubChem CID164630095
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide
SMILESCO[C@H]1COCC[C@@H]1NC(=O)c1cccc(N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C17H24N2O5S/c1-23-16-12-24-8-5-15(16)18-17(20)13-3-2-4-14(11-13)19-6-9-25(21,22)10-7-19/h2-4,11,15-16H,5-10,12H2,1H3,(H,18,20)/t15-,16-/m0/s1
InChIKeyVNBLBEADIOQQCN-HOTGVXAUSA-N
XLogP0.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide with MolForge

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Related Compounds

3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91761869
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 136587620
N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide
CID 91764505
N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 91766537
2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91770020
6-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
CID 91793620
N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 91780552
4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91762413
N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide
CID 91762361
N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide
CID 91761594
3-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086745
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-phenoxybenzamide
CID 91794686

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide (CID 164630095) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide is CO[C@H]1COCC[C@@H]1NC(=O)c1cccc(N2CCS(=O)(=O)CC2)c1.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide?
The InChIKey is VNBLBEADIOQQCN-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-23-16-12-24-8-5-15(16)18-17(20)13-3-2-4-14(11-13)19-6-9-25(21,22)10-7-19/h2-4,11,15-16H,5-10,12H2,1H3,(H,18,20)/t15-,16-/m0/s1.
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide?
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide has a molecular weight of 368.46 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide is sourced from PubChem (CID 164630095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).