N-(4-phenothiazin-10-ylbutyl)methanesulfonamide

C17H20N2O2S2 — CID 11078573

IUPACN-(4-phenothiazin-10-ylbutyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H20N2O2S2/c1-23(20,21)18-12-6-7-13-19-14-8-2-4-10-16(14)22-17-11-5-3-9-15(17)19/h2-5,8-11,18H,6-7,12-13H2,1H3
InChIKeyPQGWTSJFUGZYES-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.62
Rot. Bonds6

About N-(4-phenothiazin-10-ylbutyl)methanesulfonamide

N-(4-phenothiazin-10-ylbutyl)methanesulfonamide (PubChem CID 11078573) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(4-phenothiazin-10-ylbutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-phenothiazin-10-ylbutyl)methanesulfonamide
PubChem CID11078573
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC NameN-(4-phenothiazin-10-ylbutyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H20N2O2S2/c1-23(20,21)18-12-6-7-13-19-14-8-2-4-10-16(14)22-17-11-5-3-9-15(17)19/h2-5,8-11,18H,6-7,12-13H2,1H3
InChIKeyPQGWTSJFUGZYES-UHFFFAOYSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride
CID 155804735
N-ethyl-3-phenothiazin-10-ylpropan-1-amine
CID 61387618
10-(3-methylsulfonylsulfanylpropyl)phenothiazine
CID 71750044
sodium 6-phenothiazin-10-ylhexane-1-sulfonate
CID 57336662
2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide
CID 119731854
10-(4-bromobutyl)phenothiazine
CID 14549797
10-butylphenothiazine;propane
CID 177020956
10-butylphenothiazine;hydrate;tetrahydroiodide
CID 173485866
4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide
CID 55652135
3-phenothiazin-10-ylpropan-1-amine
CID 11079240
1-ethylsulfonyl-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide
CID 55679725
4-chloro-N-(2-phenothiazin-10-ylethyl)benzenesulfonamide;2-phenothiazin-10-ylethanamine;hydrochloride
CID 158961805

Frequently Asked Questions

What is the IUPAC name of N-(4-phenothiazin-10-ylbutyl)methanesulfonamide?
The IUPAC name of N-(4-phenothiazin-10-ylbutyl)methanesulfonamide (CID 11078573) is N-(4-phenothiazin-10-ylbutyl)methanesulfonamide.
What is the SMILES notation for N-(4-phenothiazin-10-ylbutyl)methanesulfonamide?
The canonical SMILES for N-(4-phenothiazin-10-ylbutyl)methanesulfonamide is CS(=O)(=O)NCCCCN1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-(4-phenothiazin-10-ylbutyl)methanesulfonamide?
The InChIKey is PQGWTSJFUGZYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c1-23(20,21)18-12-6-7-13-19-14-8-2-4-10-16(14)22-17-11-5-3-9-15(17)19/h2-5,8-11,18H,6-7,12-13H2,1H3.
What are the key properties of N-(4-phenothiazin-10-ylbutyl)methanesulfonamide?
N-(4-phenothiazin-10-ylbutyl)methanesulfonamide has a molecular weight of 348.49 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenothiazin-10-ylbutyl)methanesulfonamide is sourced from PubChem (CID 11078573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).