N-[2-[(5-bromo-4-methylthiophen-2-yl)methylamino]ethyl]methanesulfonamide

C9H15BrN2O2S2 — CID 75382844

IUPACN-[2-[(5-bromo-4-methylthiophen-2-yl)methylamino]ethyl]methanesulfonamide
SMILESCc1cc(CNCCNS(C)(=O)=O)sc1Br
InChIInChI=1S/C9H15BrN2O2S2/c1-7-5-8(15-9(7)10)6-11-3-4-12-16(2,13)14/h5,11-12H,3-4,6H2,1-2H3
InChIKeyHGGAJNNVUIHXLS-UHFFFAOYSA-N
MW327.27 g/mol
LogP1.46
Rot. Bonds6

About N-[2-[(5-bromo-4-methylthiophen-2-yl)methylamino]ethyl]methanesulfonamide

N-[2-[(5-bromo-4-methylthiophen-2-yl)methylamino]ethyl]methanesulfonamide (PubChem CID 75382844) has the molecular formula C9H15BrN2O2S2 and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[2-[(5-bromo-4-methylthiophen-2-yl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-4-methylthiophen-2-yl)methylamino]ethyl]methanesulfonamide
PubChem CID75382844
Molecular FormulaC9H15BrN2O2S2
Molecular Weight327.27 g/mol
Exact Mass325.98
IUPAC NameN-[2-[(5-bromo-4-methylthiophen-2-yl)methylamino]ethyl]methanesulfonamide
SMILESCc1cc(CNCCNS(C)(=O)=O)sc1Br
InChIInChI=1S/C9H15BrN2O2S2/c1-7-5-8(15-9(7)10)6-11-3-4-12-16(2,13)14/h5,11-12H,3-4,6H2,1-2H3
InChIKeyHGGAJNNVUIHXLS-UHFFFAOYSA-N
XLogP1.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-4-methylthiophen-2-yl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(5-bromo-4-methylthiophen-2-yl)methylamino]ethyl]methanesulfonamide (CID 75382844) is N-[2-[(5-bromo-4-methylthiophen-2-yl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(5-bromo-4-methylthiophen-2-yl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(5-bromo-4-methylthiophen-2-yl)methylamino]ethyl]methanesulfonamide is Cc1cc(CNCCNS(C)(=O)=O)sc1Br.
What is the InChIKey of N-[2-[(5-bromo-4-methylthiophen-2-yl)methylamino]ethyl]methanesulfonamide?
The InChIKey is HGGAJNNVUIHXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O2S2/c1-7-5-8(15-9(7)10)6-11-3-4-12-16(2,13)14/h5,11-12H,3-4,6H2,1-2H3.
What are the key properties of N-[2-[(5-bromo-4-methylthiophen-2-yl)methylamino]ethyl]methanesulfonamide?
N-[2-[(5-bromo-4-methylthiophen-2-yl)methylamino]ethyl]methanesulfonamide has a molecular weight of 327.27 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-[2-[(5-bromo-4-methylthiophen-2-yl)methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 75382844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).