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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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).