3-bromo-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-sulfonamide

C12H19BrN2O3S2 — CID 61072491

IUPAC3-bromo-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-sulfonamide
SMILESCC(C)(CNS(=O)(=O)c1sccc1Br)N1CCOCC1
InChIInChI=1S/C12H19BrN2O3S2/c1-12(2,15-4-6-18-7-5-15)9-14-20(16,17)11-10(13)3-8-19-11/h3,8,14H,4-7,9H2,1-2H3
InChIKeyPIROZPSMEFLBON-UHFFFAOYSA-N
MW383.33 g/mol
LogP1.90
Rot. Bonds5

About 3-bromo-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-sulfonamide

3-bromo-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-sulfonamide (PubChem CID 61072491) has the molecular formula C12H19BrN2O3S2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 3-bromo-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-sulfonamide
PubChem CID61072491
Molecular FormulaC12H19BrN2O3S2
Molecular Weight383.33 g/mol
Exact Mass382.00
IUPAC Name3-bromo-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-sulfonamide
SMILESCC(C)(CNS(=O)(=O)c1sccc1Br)N1CCOCC1
InChIInChI=1S/C12H19BrN2O3S2/c1-12(2,15-4-6-18-7-5-15)9-14-20(16,17)11-10(13)3-8-19-11/h3,8,14H,4-7,9H2,1-2H3
InChIKeyPIROZPSMEFLBON-UHFFFAOYSA-N
XLogP1.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide
CID 84591422
3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide
CID 4798669
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylbenzenesulfonamide
CID 51169466
3-bromo-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide
CID 114164898
4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid
CID 45412722
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188
1-acetyl-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 55509064
3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 55136740
4-bromo-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112504851
1-(3-bromothiophen-2-yl)-3-methyl-3-morpholin-4-ylbutan-2-one
CID 79045801
3-bromo-N-(furan-3-ylmethyl)thiophene-2-sulfonamide
CID 115588809

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-sulfonamide (CID 61072491) is 3-bromo-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-sulfonamide is CC(C)(CNS(=O)(=O)c1sccc1Br)N1CCOCC1.
What is the InChIKey of 3-bromo-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-sulfonamide?
The InChIKey is PIROZPSMEFLBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O3S2/c1-12(2,15-4-6-18-7-5-15)9-14-20(16,17)11-10(13)3-8-19-11/h3,8,14H,4-7,9H2,1-2H3.
What are the key properties of 3-bromo-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-sulfonamide?
3-bromo-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-sulfonamide has a molecular weight of 383.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61072491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).