2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid

C12H16BrNO4S2 — CID 103342818

IUPAC2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
SMILESCN(Cc1csc(Br)c1)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H16BrNO4S2/c1-14(6-8-5-11(13)19-7-8)20(17,18)10-4-2-3-9(10)12(15)16/h5,7,9-10H,2-4,6H2,1H3,(H,15,16)
InChIKeyDZIWIMHQHWGIMZ-UHFFFAOYSA-N
MW382.30 g/mol
LogP2.53
Rot. Bonds5

About 2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid

2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103342818) has the molecular formula C12H16BrNO4S2 and a molecular weight of 382.30 g/mol. Its IUPAC name is 2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
PubChem CID103342818
Molecular FormulaC12H16BrNO4S2
Molecular Weight382.30 g/mol
Exact Mass380.97
IUPAC Name2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
SMILESCN(Cc1csc(Br)c1)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H16BrNO4S2/c1-14(6-8-5-11(13)19-7-8)20(17,18)10-4-2-3-9(10)12(15)16/h5,7,9-10H,2-4,6H2,1H3,(H,15,16)
InChIKeyDZIWIMHQHWGIMZ-UHFFFAOYSA-N
XLogP2.53
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342290
N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-sulfonamide
CID 54987021
2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342452
N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide
CID 103707088
2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342672
1-[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071488
2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid
CID 103343090
cis-(1R,3S)-3-[[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319508
1-[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54986829
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388637
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-methylsulfonylethanesulfonamide
CID 55174854
methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103342854

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid (CID 103342818) is 2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid is CN(Cc1csc(Br)c1)S(=O)(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is DZIWIMHQHWGIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO4S2/c1-14(6-8-5-11(13)19-7-8)20(17,18)10-4-2-3-9(10)12(15)16/h5,7,9-10H,2-4,6H2,1H3,(H,15,16).
What are the key properties of 2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid?
2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 382.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103342818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).