5-(aminomethyl)-2-bromo-N-(2-ethoxyethyl)thiophene-3-sulfonamide

C9H15BrN2O3S2 — CID 106020201

IUPAC5-(aminomethyl)-2-bromo-N-(2-ethoxyethyl)thiophene-3-sulfonamide
SMILESCCOCCNS(=O)(=O)c1cc(CN)sc1Br
InChIInChI=1S/C9H15BrN2O3S2/c1-2-15-4-3-12-17(13,14)8-5-7(6-11)16-9(8)10/h5,12H,2-4,6,11H2,1H3
InChIKeyVRVOOLHNERVWIF-UHFFFAOYSA-N
MW343.27 g/mol
LogP1.28
Rot. Bonds7

About 5-(aminomethyl)-2-bromo-N-(2-ethoxyethyl)thiophene-3-sulfonamide

5-(aminomethyl)-2-bromo-N-(2-ethoxyethyl)thiophene-3-sulfonamide (PubChem CID 106020201) has the molecular formula C9H15BrN2O3S2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(2-ethoxyethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(2-ethoxyethyl)thiophene-3-sulfonamide
PubChem CID106020201
Molecular FormulaC9H15BrN2O3S2
Molecular Weight343.27 g/mol
Exact Mass341.97
IUPAC Name5-(aminomethyl)-2-bromo-N-(2-ethoxyethyl)thiophene-3-sulfonamide
SMILESCCOCCNS(=O)(=O)c1cc(CN)sc1Br
InChIInChI=1S/C9H15BrN2O3S2/c1-2-15-4-3-12-17(13,14)8-5-7(6-11)16-9(8)10/h5,12H,2-4,6,11H2,1H3
InChIKeyVRVOOLHNERVWIF-UHFFFAOYSA-N
XLogP1.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 114138920
5-(aminomethyl)-2-bromo-N-[4-(dimethylamino)butyl]thiophene-3-sulfonamide
CID 106051850
5-(aminomethyl)-2-bromo-N-[2-(2-methylphenyl)ethyl]thiophene-3-sulfonamide
CID 106070776
5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
CID 106085403
5-(aminomethyl)-2-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide
CID 106082684
2-bromo-5-(ethylaminomethyl)-N-(3-fluoropropyl)thiophene-3-sulfonamide
CID 114267253
5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide
CID 106068581
2-bromo-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077638
5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
CID 106002359
2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 62164202
4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 113370382
3-(aminomethyl)-5-chloro-N-(2-ethoxyethyl)-2-methylbenzenesulfonamide
CID 106020144

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(2-ethoxyethyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(2-ethoxyethyl)thiophene-3-sulfonamide (CID 106020201) is 5-(aminomethyl)-2-bromo-N-(2-ethoxyethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(2-ethoxyethyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(2-ethoxyethyl)thiophene-3-sulfonamide is CCOCCNS(=O)(=O)c1cc(CN)sc1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(2-ethoxyethyl)thiophene-3-sulfonamide?
The InChIKey is VRVOOLHNERVWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O3S2/c1-2-15-4-3-12-17(13,14)8-5-7(6-11)16-9(8)10/h5,12H,2-4,6,11H2,1H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(2-ethoxyethyl)thiophene-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(2-ethoxyethyl)thiophene-3-sulfonamide has a molecular weight of 343.27 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(2-ethoxyethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106020201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).