1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide

C22H27N3O3S2 — CID 26388

💊View drug profile → metopimazine
IUPAC1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc2c(c1)N(CCCN1CCC(C(N)=O)CC1)c1ccccc1S2
InChIInChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)
InChIKeyBQDBKDMTIJBJLA-UHFFFAOYSA-N
MW445.61 g/mol
LogP3.28
Rot. Bonds6

About 1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide

1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide (PubChem CID 26388) has the molecular formula C22H27N3O3S2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide
PubChem CID26388
Molecular FormulaC22H27N3O3S2
Molecular Weight445.61 g/mol
Exact Mass445.15
IUPAC Name1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc2c(c1)N(CCCN1CCC(C(N)=O)CC1)c1ccccc1S2
InChIInChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)
InChIKeyBQDBKDMTIJBJLA-UHFFFAOYSA-N
XLogP3.28
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide 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

Sulforidazine
CID 31765
10-[2-(1-Methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine 5,5-dioxide
CID 118753627
1-(Phenothiazine-10-carbonyl)piperidine-4-carboxamide
CID 1389785
6-(4-methylpiperidin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one
CID 3374515
N-[3-(3,5-Dimethylpiperidin-1-YL)propyl]-2-{6-[(4-methylpiperidin-1-YL)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-YL}acetamide
CID 3491528
N-[3-(2-Methylpiperidin-1-YL)propyl]-2-{6-[(4-methylpiperidin-1-YL)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-YL}acetamide
CID 4101214
N-[3-(4-Methylpiperidin-1-YL)propyl]-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-YL]acetamide
CID 4161892
2-(3-keto-6-piperidinosulfonyl-1,4-benzothiazin-4-yl)-N-(p-tolyl)acetamide
CID 20903141
6-[4-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl]sulfonyl-4H-1,4-benzothiazin-3-one
CID 20911799
3-[(2-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-YL)sulfonyl]-N-[(4-methylphenyl)methyl]butanamide
CID 20911877
N-(3-Chlorophenyl)-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-YL)sulfonyl]piperidine-4-carboxamide
CID 20927368
N-(3,4-Dimethylphenyl)-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-YL)sulfonyl]piperidine-4-carboxamide
CID 20927396

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide (CID 26388) is 1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide is CS(=O)(=O)c1ccc2c(c1)N(CCCN1CCC(C(N)=O)CC1)c1ccccc1S2.
What is the InChIKey of 1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide?
The InChIKey is BQDBKDMTIJBJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26).
What are the key properties of 1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide?
1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide has a molecular weight of 445.61 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 26388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).