N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide

C14H20N2O3S — CID 7424208

IUPACN-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-2-5-14(17)15-12-6-8-13(9-7-12)16-10-3-4-11-20(16,18)19/h6-9H,2-5,10-11H2,1H3,(H,15,17)
InChIKeyUKDPSPVWGSLWSS-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.36
Rot. Bonds4

About N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide

N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide (PubChem CID 7424208) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
PubChem CID7424208
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-2-5-14(17)15-12-6-8-13(9-7-12)16-10-3-4-11-20(16,18)19/h6-9H,2-5,10-11H2,1H3,(H,15,17)
InChIKeyUKDPSPVWGSLWSS-UHFFFAOYSA-N
XLogP2.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide
CID 7424224
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N',N'-dipropylpentanediamide
CID 56552807
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 7638744
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 51318715
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenylpropanamide
CID 7627477
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
2-(1,3-dioxoisoindol-2-yl)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetamide
CID 7584600
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 42489231
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide
CID 16831289
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(pyrimidin-2-ylamino)propanamide
CID 71700471
4-(2,5-dimethylthiophen-3-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-oxobutanamide
CID 42488044
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110622867

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide?
The IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide (CID 7424208) is N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide.
What is the SMILES notation for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide?
The canonical SMILES for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide is CCCC(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide?
The InChIKey is UKDPSPVWGSLWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-5-14(17)15-12-6-8-13(9-7-12)16-10-3-4-11-20(16,18)19/h6-9H,2-5,10-11H2,1H3,(H,15,17).
What are the key properties of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide?
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide has a molecular weight of 296.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide is sourced from PubChem (CID 7424208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).