N-[1-[(5-bromothiophen-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide

C10H17BrN2O2S2 — CID 63859642

IUPACN-[1-[(5-bromothiophen-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCc1ccc(Br)s1)NS(C)(=O)=O
InChIInChI=1S/C10H17BrN2O2S2/c1-10(2,13-17(3,14)15)7-12-6-8-4-5-9(11)16-8/h4-5,12-13H,6-7H2,1-3H3
InChIKeyKMPWVRQVNXVXBY-UHFFFAOYSA-N
MW341.30 g/mol
LogP1.93
Rot. Bonds6

About N-[1-[(5-bromothiophen-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(5-bromothiophen-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63859642) has the molecular formula C10H17BrN2O2S2 and a molecular weight of 341.30 g/mol. Its IUPAC name is N-[1-[(5-bromothiophen-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(5-bromothiophen-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63859642
Molecular FormulaC10H17BrN2O2S2
Molecular Weight341.30 g/mol
Exact Mass339.99
IUPAC NameN-[1-[(5-bromothiophen-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCc1ccc(Br)s1)NS(C)(=O)=O
InChIInChI=1S/C10H17BrN2O2S2/c1-10(2,13-17(3,14)15)7-12-6-8-4-5-9(11)16-8/h4-5,12-13H,6-7H2,1-3H3
InChIKeyKMPWVRQVNXVXBY-UHFFFAOYSA-N
XLogP1.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(5-bromofuran-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63858420
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 111118505
N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine
CID 79256811
N-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine
CID 106723329
N-[2-methyl-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl]methanesulfonamide
CID 63858902
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
N-[2-methyl-1-[(5-nitrofuran-2-yl)methylamino]propan-2-yl]methanesulfonamide
CID 63864439
4-[(5-bromothiophen-2-yl)methylamino]-2,2-dimethylbutanoic acid
CID 115221121
N-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine
CID 115609606
N-[(5-bromothiophen-2-yl)methyl]-2-tert-butylsulfanylethanamine;hydrochloride
CID 115614482
N-[1-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 115968130

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-bromothiophen-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(5-bromothiophen-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide (CID 63859642) is N-[1-[(5-bromothiophen-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(5-bromothiophen-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(5-bromothiophen-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNCc1ccc(Br)s1)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(5-bromothiophen-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is KMPWVRQVNXVXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O2S2/c1-10(2,13-17(3,14)15)7-12-6-8-4-5-9(11)16-8/h4-5,12-13H,6-7H2,1-3H3.
What are the key properties of N-[1-[(5-bromothiophen-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(5-bromothiophen-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 341.30 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-bromothiophen-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63859642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).