N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropanesulfonamide

C9H12BrNO2S2 — CID 64552630

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropanesulfonamide
SMILESCN(Cc1cc(Br)cs1)S(=O)(=O)C1CC1
InChIInChI=1S/C9H12BrNO2S2/c1-11(15(12,13)9-2-3-9)5-8-4-7(10)6-14-8/h4,6,9H,2-3,5H2,1H3
InChIKeyXEUJTLDVMHBFLO-UHFFFAOYSA-N
MW310.24 g/mol
LogP2.43
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropanesulfonamide

N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropanesulfonamide (PubChem CID 64552630) has the molecular formula C9H12BrNO2S2 and a molecular weight of 310.24 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropanesulfonamide
PubChem CID64552630
Molecular FormulaC9H12BrNO2S2
Molecular Weight310.24 g/mol
Exact Mass308.95
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropanesulfonamide
SMILESCN(Cc1cc(Br)cs1)S(=O)(=O)C1CC1
InChIInChI=1S/C9H12BrNO2S2/c1-11(15(12,13)9-2-3-9)5-8-4-7(10)6-14-8/h4,6,9H,2-3,5H2,1H3
InChIKeyXEUJTLDVMHBFLO-UHFFFAOYSA-N
XLogP2.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide
CID 54984667
N-[(4-bromothiophen-2-yl)methyl]-N-methylpropane-2-sulfonamide
CID 61355035
N-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine
CID 54978733
N-[(4-bromothiophen-2-yl)methyl]cyclopropanesulfonamide
CID 64552631
N-[(4-bromothiophen-2-yl)methyl]-2-ethoxy-N-methylethanesulfonamide
CID 55137039
5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid
CID 60951027
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylbenzenesulfonamide
CID 63420338
N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 47318970
N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 47318835
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzenesulfonamide
CID 63420380
N-[(4-bromothiophen-2-yl)methyl]-3,4-dichloro-N-methylbenzenesulfonamide
CID 61073955
2-[(4-bromothiophen-2-yl)methyl-methylamino]acetaldehyde
CID 62053063

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropanesulfonamide (CID 64552630) is N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropanesulfonamide is CN(Cc1cc(Br)cs1)S(=O)(=O)C1CC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropanesulfonamide?
The InChIKey is XEUJTLDVMHBFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S2/c1-11(15(12,13)9-2-3-9)5-8-4-7(10)6-14-8/h4,6,9H,2-3,5H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropanesulfonamide?
N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropanesulfonamide has a molecular weight of 310.24 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 64552630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).