methyl 2-[(3-bromothiophen-2-yl)methylsulfamoyl]acetate

C8H10BrNO4S2 — CID 78996186

IUPACmethyl 2-[(3-bromothiophen-2-yl)methylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NCc1sccc1Br
InChIInChI=1S/C8H10BrNO4S2/c1-14-8(11)5-16(12,13)10-4-7-6(9)2-3-15-7/h2-3,10H,4-5H2,1H3
InChIKeyKDTDMQSEBDZLCC-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.10
Rot. Bonds5

About methyl 2-[(3-bromothiophen-2-yl)methylsulfamoyl]acetate

methyl 2-[(3-bromothiophen-2-yl)methylsulfamoyl]acetate (PubChem CID 78996186) has the molecular formula C8H10BrNO4S2 and a molecular weight of 328.21 g/mol. Its IUPAC name is methyl 2-[(3-bromothiophen-2-yl)methylsulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-bromothiophen-2-yl)methylsulfamoyl]acetate
PubChem CID78996186
Molecular FormulaC8H10BrNO4S2
Molecular Weight328.21 g/mol
Exact Mass326.92
IUPAC Namemethyl 2-[(3-bromothiophen-2-yl)methylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NCc1sccc1Br
InChIInChI=1S/C8H10BrNO4S2/c1-14-8(11)5-16(12,13)10-4-7-6(9)2-3-15-7/h2-3,10H,4-5H2,1H3
InChIKeyKDTDMQSEBDZLCC-UHFFFAOYSA-N
XLogP1.10
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-bromophenyl)methylsulfamoyl]acetate
CID 61414007
methyl 2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropanoate
CID 78952228
methyl 2-(benzylsulfamoyl)acetate
CID 130159397
N-[2-[(3-bromothiophen-2-yl)methylamino]ethyl]ethanesulfonamide
CID 86793085
N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 79471456
2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride
CID 120987993
2,4-dibromo-N-[(3-bromothiophen-2-yl)methyl]benzenesulfonamide
CID 78983691
N-[(3-bromothiophen-2-yl)methyl]azepane-1-sulfonamide
CID 78983748
methyl 2-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)acetate
CID 105357735
4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide
CID 103156291
3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea
CID 78986182
N-[(3-bromothiophen-2-yl)methyl]-3-methylbut-2-enamide
CID 78986047

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-bromothiophen-2-yl)methylsulfamoyl]acetate?
The IUPAC name of methyl 2-[(3-bromothiophen-2-yl)methylsulfamoyl]acetate (CID 78996186) is methyl 2-[(3-bromothiophen-2-yl)methylsulfamoyl]acetate.
What is the SMILES notation for methyl 2-[(3-bromothiophen-2-yl)methylsulfamoyl]acetate?
The canonical SMILES for methyl 2-[(3-bromothiophen-2-yl)methylsulfamoyl]acetate is COC(=O)CS(=O)(=O)NCc1sccc1Br.
What is the InChIKey of methyl 2-[(3-bromothiophen-2-yl)methylsulfamoyl]acetate?
The InChIKey is KDTDMQSEBDZLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO4S2/c1-14-8(11)5-16(12,13)10-4-7-6(9)2-3-15-7/h2-3,10H,4-5H2,1H3.
What are the key properties of methyl 2-[(3-bromothiophen-2-yl)methylsulfamoyl]acetate?
methyl 2-[(3-bromothiophen-2-yl)methylsulfamoyl]acetate has a molecular weight of 328.21 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-bromothiophen-2-yl)methylsulfamoyl]acetate is sourced from PubChem (CID 78996186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).