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

C22H27N3O3S2 — CID 90259864

IUPACN-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc2c(c1)N(CCCNC(=O)C1CCNCC1)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)14-4-11-24-22(26)16-9-12-23-13-10-16/h2-3,5-8,15-16,23H,4,9-14H2,1H3,(H,24,26)
InChIKeyKEGGKVUOTPOZGQ-UHFFFAOYSA-N
MW445.61 g/mol
LogP3.20
Rot. Bonds6

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

N-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide (PubChem CID 90259864) has the molecular formula C22H27N3O3S2 and a molecular weight of 445.61 g/mol. Its IUPAC name is N-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide
PubChem CID90259864
Molecular FormulaC22H27N3O3S2
Molecular Weight445.61 g/mol
Exact Mass445.15
IUPAC NameN-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)c1ccc2c(c1)N(CCCNC(=O)C1CCNCC1)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)14-4-11-24-22(26)16-9-12-23-13-10-16/h2-3,5-8,15-16,23H,4,9-14H2,1H3,(H,24,26)
InChIKeyKEGGKVUOTPOZGQ-UHFFFAOYSA-N
XLogP3.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide
CID 119293982
1-ethylsulfonyl-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide
CID 55679725
(2R)-5-oxo-N-(3-phenothiazin-10-ylpropyl)pyrrolidine-2-carboxamide
CID 96559582
4-methoxy-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119731855
N-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide
CID 25010511
N-(4-phenothiazin-10-ylbutyl)methanesulfonamide
CID 11078573
4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide
CID 55652135
3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391157
2-amino-N-[2-[4-[3-[2-(dimethylamino-methylidene-oxo-λ6-sulfanyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide
CID 143928773
1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide
CID 55966453
5-cyclopropyl-N-(3-phenothiazin-10-ylpropyl)-1H-pyrazole-3-carboxamide
CID 55652720
2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide
CID 119731854

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide (CID 90259864) is N-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide is CS(=O)(=O)c1ccc2c(c1)N(CCCNC(=O)C1CCNCC1)c1ccccc1S2.
What is the InChIKey of N-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide?
The InChIKey is KEGGKVUOTPOZGQ-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)14-4-11-24-22(26)16-9-12-23-13-10-16/h2-3,5-8,15-16,23H,4,9-14H2,1H3,(H,24,26).
What are the key properties of N-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide?
N-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide has a molecular weight of 445.61 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 90259864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).