5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide

C11H19BrN2O3S2 — CID 81068902

IUPAC5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
SMILESCC(C)OCCN(C)S(=O)(=O)c1cc(CN)sc1Br
InChIInChI=1S/C11H19BrN2O3S2/c1-8(2)17-5-4-14(3)19(15,16)10-6-9(7-13)18-11(10)12/h6,8H,4-5,7,13H2,1-3H3
InChIKeyQHESOAQNGYSKGW-UHFFFAOYSA-N
MW371.32 g/mol
LogP2.01
Rot. Bonds7

About 5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide

5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide (PubChem CID 81068902) has the molecular formula C11H19BrN2O3S2 and a molecular weight of 371.32 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
PubChem CID81068902
Molecular FormulaC11H19BrN2O3S2
Molecular Weight371.32 g/mol
Exact Mass370.00
IUPAC Name5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
SMILESCC(C)OCCN(C)S(=O)(=O)c1cc(CN)sc1Br
InChIInChI=1S/C11H19BrN2O3S2/c1-8(2)17-5-4-14(3)19(15,16)10-6-9(7-13)18-11(10)12/h6,8H,4-5,7,13H2,1-3H3
InChIKeyQHESOAQNGYSKGW-UHFFFAOYSA-N
XLogP2.01
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81067632
5-amino-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81052656
5-bromo-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 167955994
2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106491946
5-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylthiophene-3-sulfonamide
CID 81067392
4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81053045
2-amino-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81053835
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 114138920
2-amino-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81052971
5-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)thiophene-3-sulfonamide
CID 114134381
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 107557246
N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 80708286

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide (CID 81068902) is 5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide is CC(C)OCCN(C)S(=O)(=O)c1cc(CN)sc1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide?
The InChIKey is QHESOAQNGYSKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O3S2/c1-8(2)17-5-4-14(3)19(15,16)10-6-9(7-13)18-11(10)12/h6,8H,4-5,7,13H2,1-3H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide has a molecular weight of 371.32 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 81068902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).