3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide

C19H29N3O3S — CID 110301682

IUPAC3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1cccc(N2CCCCS2(=O)=O)c1)N1CCCCC1
InChIInChI=1S/C19H29N3O3S/c1-16(21-10-3-2-4-11-21)15-20-19(23)17-8-7-9-18(14-17)22-12-5-6-13-26(22,24)25/h7-9,14,16H,2-6,10-13,15H2,1H3,(H,20,23)
InChIKeyDGHVVBITIAPWSU-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.22
Rot. Bonds5

About 3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide

3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide (PubChem CID 110301682) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide
PubChem CID110301682
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide
SMILESCC(CNC(=O)c1cccc(N2CCCCS2(=O)=O)c1)N1CCCCC1
InChIInChI=1S/C19H29N3O3S/c1-16(21-10-3-2-4-11-21)15-20-19(23)17-8-7-9-18(14-17)22-12-5-6-13-26(22,24)25/h7-9,14,16H,2-6,10-13,15H2,1H3,(H,20,23)
InChIKeyDGHVVBITIAPWSU-UHFFFAOYSA-N
XLogP2.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 55523206
3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide
CID 110306771
3-phenyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502353
3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 7685970
3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 51710424
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51953858
3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 7659003
3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 7686029
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(methylamino)propyl]benzamide
CID 119433279
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 132664679
N-[2-(4-methylpiperidin-1-yl)propyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110301781

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide (CID 110301682) is 3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide is CC(CNC(=O)c1cccc(N2CCCCS2(=O)=O)c1)N1CCCCC1.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide?
The InChIKey is DGHVVBITIAPWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-16(21-10-3-2-4-11-21)15-20-19(23)17-8-7-9-18(14-17)22-12-5-6-13-26(22,24)25/h7-9,14,16H,2-6,10-13,15H2,1H3,(H,20,23).
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide?
3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide has a molecular weight of 379.53 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 110301682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).