3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide

C13H18N2O3S — CID 110687886

IUPAC3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide
SMILESO=C(CCN1CCCCS1(=O)=O)Nc1ccccc1
InChIInChI=1S/C13H18N2O3S/c16-13(14-12-6-2-1-3-7-12)8-10-15-9-4-5-11-19(15,17)18/h1-3,6-7H,4-5,8-11H2,(H,14,16)
InChIKeyTZBUDKHOEUXXGQ-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.44
Rot. Bonds4

About 3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide

3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide (PubChem CID 110687886) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide
PubChem CID110687886
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide
SMILESO=C(CCN1CCCCS1(=O)=O)Nc1ccccc1
InChIInChI=1S/C13H18N2O3S/c16-13(14-12-6-2-1-3-7-12)8-10-15-9-4-5-11-19(15,17)18/h1-3,6-7H,4-5,8-11H2,(H,14,16)
InChIKeyTZBUDKHOEUXXGQ-UHFFFAOYSA-N
XLogP1.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687959
N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687915
2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide
CID 110687739
(2S)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-2-phenylacetic acid
CID 119372514
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide
CID 7424224
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
N-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687768
N-[4-(dimethylamino)phenyl]-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687775
3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 110687852
N-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687876
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenylpropanamide
CID 7627477
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
CID 7424208

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide (CID 110687886) is 3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide is O=C(CCN1CCCCS1(=O)=O)Nc1ccccc1.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide?
The InChIKey is TZBUDKHOEUXXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-13(14-12-6-2-1-3-7-12)8-10-15-9-4-5-11-19(15,17)18/h1-3,6-7H,4-5,8-11H2,(H,14,16).
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide?
3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide has a molecular weight of 282.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide is sourced from PubChem (CID 110687886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).