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

C10H17BrN2O3S — CID 63858420

IUPACN-[1-[(5-bromofuran-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCc1ccc(Br)o1)NS(C)(=O)=O
InChIInChI=1S/C10H17BrN2O3S/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
InChIKeyBVJUDNWNELSJIP-UHFFFAOYSA-N
MW325.23 g/mol
LogP1.46
Rot. Bonds6

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

N-[1-[(5-bromofuran-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63858420) has the molecular formula C10H17BrN2O3S and a molecular weight of 325.23 g/mol. Its IUPAC name is N-[1-[(5-bromofuran-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(5-bromofuran-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63858420
Molecular FormulaC10H17BrN2O3S
Molecular Weight325.23 g/mol
Exact Mass324.01
IUPAC NameN-[1-[(5-bromofuran-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCc1ccc(Br)o1)NS(C)(=O)=O
InChIInChI=1S/C10H17BrN2O3S/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
InChIKeyBVJUDNWNELSJIP-UHFFFAOYSA-N
XLogP1.46
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-bromofuran-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(5-bromofuran-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide (CID 63858420) is N-[1-[(5-bromofuran-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(5-bromofuran-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(5-bromofuran-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNCc1ccc(Br)o1)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(5-bromofuran-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is BVJUDNWNELSJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O3S/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-bromofuran-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(5-bromofuran-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 325.23 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-bromofuran-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63858420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).