(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide

C16H24N2O4S — CID 94174701

IUPAC(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide
SMILESC[C@@H](OCc1ccccc1)C(=O)NCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C16H24N2O4S/c1-14(22-13-15-5-3-2-4-6-15)16(19)17-7-8-18-9-11-23(20,21)12-10-18/h2-6,14H,7-13H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyCZDLRZKAHAGGTG-CQSZACIVSA-N
MW340.44 g/mol
LogP0.44
Rot. Bonds7

About (2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide

(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide (PubChem CID 94174701) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is (2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide
PubChem CID94174701
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide
SMILESC[C@@H](OCc1ccccc1)C(=O)NCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C16H24N2O4S/c1-14(22-13-15-5-3-2-4-6-15)16(19)17-7-8-18-9-11-23(20,21)12-10-18/h2-6,14H,7-13H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyCZDLRZKAHAGGTG-CQSZACIVSA-N
XLogP0.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 95335268
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 39301136
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-phenylmethoxypropanamide
CID 47028899
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylmethoxypropanamide
CID 55657806
(2R)-2-benzylsulfanyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide
CID 96561983
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 47035903
N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide
CID 86823532
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126
(2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-phenylmethoxypropanamide
CID 98774084
2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid
CID 66166214
N-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide
CID 47028889
N-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide
CID 64868042

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide?
The IUPAC name of (2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide (CID 94174701) is (2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide.
What is the SMILES notation for (2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide?
The canonical SMILES for (2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide is C[C@@H](OCc1ccccc1)C(=O)NCCN1CCS(=O)(=O)CC1.
What is the InChIKey of (2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide?
The InChIKey is CZDLRZKAHAGGTG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-14(22-13-15-5-3-2-4-6-15)16(19)17-7-8-18-9-11-23(20,21)12-10-18/h2-6,14H,7-13H2,1H3,(H,17,19)/t14-/m1/s1.
What are the key properties of (2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide?
(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide has a molecular weight of 340.44 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 94174701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).