N-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine

C10H17BrN2O2S2 — CID 54978733

IUPACN-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)S(=O)(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C10H17BrN2O2S2/c1-8(2)13(4)17(14,15)12(3)6-10-5-9(11)7-16-10/h5,7-8H,6H2,1-4H3
InChIKeyBVARGJBBNLQDGV-UHFFFAOYSA-N
MW341.30 g/mol
LogP2.53
Rot. Bonds5

About N-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine

N-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine (PubChem CID 54978733) has the molecular formula C10H17BrN2O2S2 and a molecular weight of 341.30 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine
PubChem CID54978733
Molecular FormulaC10H17BrN2O2S2
Molecular Weight341.30 g/mol
Exact Mass339.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)S(=O)(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C10H17BrN2O2S2/c1-8(2)13(4)17(14,15)12(3)6-10-5-9(11)7-16-10/h5,7-8H,6H2,1-4H3
InChIKeyBVARGJBBNLQDGV-UHFFFAOYSA-N
XLogP2.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-N-methylpropane-2-sulfonamide
CID 61355035
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
1-(2-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylmethanesulfonamide
CID 62022448
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
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697383
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-methylsulfamoyl]-N-methylpropan-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine (CID 54978733) is N-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine is CC(C)N(C)S(=O)(=O)N(C)Cc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine?
The InChIKey is BVARGJBBNLQDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O2S2/c1-8(2)13(4)17(14,15)12(3)6-10-5-9(11)7-16-10/h5,7-8H,6H2,1-4H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine?
N-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine has a molecular weight of 341.30 g/mol, XLogP of 2.53, 5 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-methylsulfamoyl]-N-methylpropan-2-amine is sourced from PubChem (CID 54978733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).