[1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl] carbamate

C14H18N2O4S — CID 175124615

IUPAC[1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl] carbamate
SMILESNC(=O)OC(Cc1ccccc1)C(=O)N1CCS(=O)CC1
InChIInChI=1S/C14H18N2O4S/c15-14(18)20-12(10-11-4-2-1-3-5-11)13(17)16-6-8-21(19)9-7-16/h1-5,12H,6-10H2,(H2,15,18)
InChIKeyRPSDGKZYZHUPSS-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.28
Rot. Bonds4

About [1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl] carbamate

[1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl] carbamate (PubChem CID 175124615) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is [1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl] carbamate
PubChem CID175124615
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name[1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl] carbamate
SMILESNC(=O)OC(Cc1ccccc1)C(=O)N1CCS(=O)CC1
InChIInChI=1S/C14H18N2O4S/c15-14(18)20-12(10-11-4-2-1-3-5-11)13(17)16-6-8-21(19)9-7-16/h1-5,12H,6-10H2,(H2,15,18)
InChIKeyRPSDGKZYZHUPSS-UHFFFAOYSA-N
XLogP0.28
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-oxo-1,4-thiazinan-4-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107025926
[(2S)-1-(oxazinan-2-yl)-1-oxo-3-phenylpropan-2-yl] carbamate
CID 89428474
carbamoyl 2-carbamoyloxy-3-phenylpropanoate
CID 158081056
4-chloro-N-[1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl]benzamide
CID 56571003
methyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate
CID 70054611
2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
CID 70053583
[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate
CID 175073150
2-(1-carboxy-2-phenylethoxy)-3-phenylpropanoic acid
CID 142766053
(2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one
CID 15172767
(2S)-2-(4-aminopiperidine-1-carbonyl)oxy-3-phenylpropanoic acid
CID 70049553
1-(azepan-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107019625
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl] carbamate?
The IUPAC name of [1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl] carbamate (CID 175124615) is [1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl] carbamate.
What is the SMILES notation for [1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl] carbamate?
The canonical SMILES for [1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl] carbamate is NC(=O)OC(Cc1ccccc1)C(=O)N1CCS(=O)CC1.
What is the InChIKey of [1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl] carbamate?
The InChIKey is RPSDGKZYZHUPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c15-14(18)20-12(10-11-4-2-1-3-5-11)13(17)16-6-8-21(19)9-7-16/h1-5,12H,6-10H2,(H2,15,18).
What are the key properties of [1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl] carbamate?
[1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl] carbamate has a molecular weight of 310.38 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl] carbamate is sourced from PubChem (CID 175124615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).