2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide

C12H21BrN2O2S2 — CID 106018991

IUPAC2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc(CNC)sc1Br)C(C)C
InChIInChI=1S/C12H21BrN2O2S2/c1-5-10(8(2)3)15-19(16,17)11-6-9(7-14-4)18-12(11)13/h6,8,10,14-15H,5,7H2,1-4H3
InChIKeyNODUJNVQKOZWKZ-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.94
Rot. Bonds7

About 2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide

2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide (PubChem CID 106018991) has the molecular formula C12H21BrN2O2S2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
PubChem CID106018991
Molecular FormulaC12H21BrN2O2S2
Molecular Weight369.35 g/mol
Exact Mass368.02
IUPAC Name2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc(CNC)sc1Br)C(C)C
InChIInChI=1S/C12H21BrN2O2S2/c1-5-10(8(2)3)15-19(16,17)11-6-9(7-14-4)18-12(11)13/h6,8,10,14-15H,5,7H2,1-4H3
InChIKeyNODUJNVQKOZWKZ-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-fluoro-3-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018935
2-bromo-N-(1-methoxypentan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106068580
2-bromo-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106029847
2-bromo-5-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide
CID 106218496
2-bromo-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077638
N-(1-methoxy-3-methylbutan-2-yl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106068684
2-bromo-N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106050876
2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018965
2-bromo-N-(1-methylsulfanylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106083789
5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 79994653
2-bromo-N-pentan-2-yl-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106046367
2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106086828

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide (CID 106018991) is 2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide is CCC(NS(=O)(=O)c1cc(CNC)sc1Br)C(C)C.
What is the InChIKey of 2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide?
The InChIKey is NODUJNVQKOZWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O2S2/c1-5-10(8(2)3)15-19(16,17)11-6-9(7-14-4)18-12(11)13/h6,8,10,14-15H,5,7H2,1-4H3.
What are the key properties of 2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide?
2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide has a molecular weight of 369.35 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106018991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).