N-[(4-bromothiophen-2-yl)methyl]-N-methylpropane-2-sulfonamide

C9H14BrNO2S2 — CID 61355035

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C9H14BrNO2S2/c1-7(2)15(12,13)11(3)5-9-4-8(10)6-14-9/h4,6-7H,5H2,1-3H3
InChIKeyVQKITYSJZHDFDM-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.68
Rot. Bonds4

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

N-[(4-bromothiophen-2-yl)methyl]-N-methylpropane-2-sulfonamide (PubChem CID 61355035) has the molecular formula C9H14BrNO2S2 and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methylpropane-2-sulfonamide
PubChem CID61355035
Molecular FormulaC9H14BrNO2S2
Molecular Weight312.25 g/mol
Exact Mass310.96
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C9H14BrNO2S2/c1-7(2)15(12,13)11(3)5-9-4-8(10)6-14-9/h4,6-7H,5H2,1-3H3
InChIKeyVQKITYSJZHDFDM-UHFFFAOYSA-N
XLogP2.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine
CID 54978733
N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropanesulfonamide
CID 64552630
N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide
CID 54984667
N-[(4-bromothiophen-2-yl)methyl]-2-ethoxy-N-methylethanesulfonamide
CID 55137039
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
N-[(4-bromothiophen-2-yl)methyl]-3,4-dichloro-N-methylbenzenesulfonamide
CID 61073955
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzenesulfonamide
CID 63420380
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697383
1-(2-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylmethanesulfonamide
CID 62022448
5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid
CID 60951027

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methylpropane-2-sulfonamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methylpropane-2-sulfonamide (CID 61355035) is N-[(4-bromothiophen-2-yl)methyl]-N-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methylpropane-2-sulfonamide is CC(C)S(=O)(=O)N(C)Cc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methylpropane-2-sulfonamide?
The InChIKey is VQKITYSJZHDFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2S2/c1-7(2)15(12,13)11(3)5-9-4-8(10)6-14-9/h4,6-7H,5H2,1-3H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methylpropane-2-sulfonamide?
N-[(4-bromothiophen-2-yl)methyl]-N-methylpropane-2-sulfonamide has a molecular weight of 312.25 g/mol, XLogP of 2.68, 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-methylpropane-2-sulfonamide is sourced from PubChem (CID 61355035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).