5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide

C13H21BrN2O3S2 — CID 51330982

IUPAC5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide
SMILESCC1CN(CCCNS(=O)(=O)c2ccc(Br)s2)CC(C)O1
InChIInChI=1S/C13H21BrN2O3S2/c1-10-8-16(9-11(2)19-10)7-3-6-15-21(17,18)13-5-4-12(14)20-13/h4-5,10-11,15H,3,6-9H2,1-2H3
InChIKeyUFANSEIFFDOMAP-UHFFFAOYSA-N
MW397.36 g/mol
LogP2.29
Rot. Bonds6

About 5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide

5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide (PubChem CID 51330982) has the molecular formula C13H21BrN2O3S2 and a molecular weight of 397.36 g/mol. Its IUPAC name is 5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide
PubChem CID51330982
Molecular FormulaC13H21BrN2O3S2
Molecular Weight397.36 g/mol
Exact Mass396.02
IUPAC Name5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide
SMILESCC1CN(CCCNS(=O)(=O)c2ccc(Br)s2)CC(C)O1
InChIInChI=1S/C13H21BrN2O3S2/c1-10-8-16(9-11(2)19-10)7-3-6-15-21(17,18)13-5-4-12(14)20-13/h4-5,10-11,15H,3,6-9H2,1-2H3
InChIKeyUFANSEIFFDOMAP-UHFFFAOYSA-N
XLogP2.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721147
5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 106158682
5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 115638717
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide
CID 51330970
5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride
CID 119966296
5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide
CID 55603646
N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide
CID 94181344
ethyl 3-bromo-4-[3-(2,6-dimethylmorpholin-4-yl)propylsulfamoyl]benzoate
CID 55573442
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 47114338
5-bromo-N-[3-(2-methoxyethoxy)propyl]thiophene-2-sulfonamide
CID 51249234
5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide
CID 55026778
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]ethanesulfonamide
CID 97058705

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide (CID 51330982) is 5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide is CC1CN(CCCNS(=O)(=O)c2ccc(Br)s2)CC(C)O1.
What is the InChIKey of 5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is UFANSEIFFDOMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O3S2/c1-10-8-16(9-11(2)19-10)7-3-6-15-21(17,18)13-5-4-12(14)20-13/h4-5,10-11,15H,3,6-9H2,1-2H3.
What are the key properties of 5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide?
5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 397.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 51330982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).