4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide

C17H24N2O3S3 — CID 39999696

IUPAC4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2ccc(C3SCCCS3)cc2)CC1
InChIInChI=1S/C17H24N2O3S3/c1-25(21,22)19-9-7-15(8-10-19)18-16(20)13-3-5-14(6-4-13)17-23-11-2-12-24-17/h3-6,15,17H,2,7-12H2,1H3,(H,18,20)
InChIKeyJDFFJIIVNJHYEF-UHFFFAOYSA-N
MW400.59 g/mol
LogP2.71
Rot. Bonds4

About 4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide

4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide (PubChem CID 39999696) has the molecular formula C17H24N2O3S3 and a molecular weight of 400.59 g/mol. Its IUPAC name is 4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
PubChem CID39999696
Molecular FormulaC17H24N2O3S3
Molecular Weight400.59 g/mol
Exact Mass400.09
IUPAC Name4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2ccc(C3SCCCS3)cc2)CC1
InChIInChI=1S/C17H24N2O3S3/c1-25(21,22)19-9-7-15(8-10-19)18-16(20)13-3-5-14(6-4-13)17-23-11-2-12-24-17/h3-6,15,17H,2,7-12H2,1H3,(H,18,20)
InChIKeyJDFFJIIVNJHYEF-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)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

4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
4-(2,5-dioxopyrrolidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 46566529
4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide
CID 17449412
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
ethyl 4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 31843166
4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871266
3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide
CID 60734326
N-(1-methylsulfonylpyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 110866984

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide (CID 39999696) is 4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide is CS(=O)(=O)N1CCC(NC(=O)c2ccc(C3SCCCS3)cc2)CC1.
What is the InChIKey of 4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is JDFFJIIVNJHYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S3/c1-25(21,22)19-9-7-15(8-10-19)18-16(20)13-3-5-14(6-4-13)17-23-11-2-12-24-17/h3-6,15,17H,2,7-12H2,1H3,(H,18,20).
What are the key properties of 4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 400.59 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 39999696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).