1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide

C9H14BrNO3S2 — CID 90598463

IUPAC1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide
SMILESCOC(CNS(=O)(=O)CBr)c1ccc(C)s1
InChIInChI=1S/C9H14BrNO3S2/c1-7-3-4-9(15-7)8(14-2)5-11-16(12,13)6-10/h3-4,8,11H,5-6H2,1-2H3
InChIKeyHXBPRLSTPGMVHU-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.02
Rot. Bonds6

About 1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide

1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide (PubChem CID 90598463) has the molecular formula C9H14BrNO3S2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide
PubChem CID90598463
Molecular FormulaC9H14BrNO3S2
Molecular Weight328.25 g/mol
Exact Mass326.96
IUPAC Name1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide
SMILESCOC(CNS(=O)(=O)CBr)c1ccc(C)s1
InChIInChI=1S/C9H14BrNO3S2/c1-7-3-4-9(15-7)8(14-2)5-11-16(12,13)6-10/h3-4,8,11H,5-6H2,1-2H3
InChIKeyHXBPRLSTPGMVHU-UHFFFAOYSA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 97417531
N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 97417537
4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598480
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 71810392
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide
CID 71810393
methyl 4-[[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]sulfamoyl]benzoate
CID 71810408
4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598487
3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 97417524
1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide
CID 97417551
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 97417544
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide
CID 91631033
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 71810414

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide (CID 90598463) is 1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide is COC(CNS(=O)(=O)CBr)c1ccc(C)s1.
What is the InChIKey of 1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide?
The InChIKey is HXBPRLSTPGMVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO3S2/c1-7-3-4-9(15-7)8(14-2)5-11-16(12,13)6-10/h3-4,8,11H,5-6H2,1-2H3.
What are the key properties of 1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide?
1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide has a molecular weight of 328.25 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 90598463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).