N-[2-[(5-bromo-3-pyridinyl)-methylamino]ethyl]methanesulfonamide

C9H14BrN3O2S — CID 71996464

IUPACN-[2-[(5-bromo-3-pyridinyl)-methylamino]ethyl]methanesulfonamide
SMILESCN(CCNS(C)(=O)=O)c1cncc(Br)c1
InChIInChI=1S/C9H14BrN3O2S/c1-13(4-3-12-16(2,14)15)9-5-8(10)6-11-7-9/h5-7,12H,3-4H2,1-2H3
InChIKeySETQZAMRRJGVDJ-UHFFFAOYSA-N
MW308.20 g/mol
LogP0.83
Rot. Bonds5

About N-[2-[(5-bromo-3-pyridinyl)-methylamino]ethyl]methanesulfonamide

N-[2-[(5-bromo-3-pyridinyl)-methylamino]ethyl]methanesulfonamide (PubChem CID 71996464) has the molecular formula C9H14BrN3O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is N-[2-[(5-bromo-3-pyridinyl)-methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-3-pyridinyl)-methylamino]ethyl]methanesulfonamide
PubChem CID71996464
Molecular FormulaC9H14BrN3O2S
Molecular Weight308.20 g/mol
Exact Mass307.00
IUPAC NameN-[2-[(5-bromo-3-pyridinyl)-methylamino]ethyl]methanesulfonamide
SMILESCN(CCNS(C)(=O)=O)c1cncc(Br)c1
InChIInChI=1S/C9H14BrN3O2S/c1-13(4-3-12-16(2,14)15)9-5-8(10)6-11-7-9/h5-7,12H,3-4H2,1-2H3
InChIKeySETQZAMRRJGVDJ-UHFFFAOYSA-N
XLogP0.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-3-pyridinyl)-methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(5-bromo-3-pyridinyl)-methylamino]ethyl]methanesulfonamide (CID 71996464) is N-[2-[(5-bromo-3-pyridinyl)-methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(5-bromo-3-pyridinyl)-methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(5-bromo-3-pyridinyl)-methylamino]ethyl]methanesulfonamide is CN(CCNS(C)(=O)=O)c1cncc(Br)c1.
What is the InChIKey of N-[2-[(5-bromo-3-pyridinyl)-methylamino]ethyl]methanesulfonamide?
The InChIKey is SETQZAMRRJGVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S/c1-13(4-3-12-16(2,14)15)9-5-8(10)6-11-7-9/h5-7,12H,3-4H2,1-2H3.
What are the key properties of N-[2-[(5-bromo-3-pyridinyl)-methylamino]ethyl]methanesulfonamide?
N-[2-[(5-bromo-3-pyridinyl)-methylamino]ethyl]methanesulfonamide has a molecular weight of 308.20 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-3-pyridinyl)-methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 71996464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).