2-bromo-N-(2,2-dimethylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

C13H21BrN2O2S2 — CID 106071109

IUPAC2-bromo-N-(2,2-dimethylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCCC2(C)C)c(Br)s1
InChIInChI=1S/C13H21BrN2O2S2/c1-13(2)6-4-5-11(13)16-20(17,18)10-7-9(8-15-3)19-12(10)14/h7,11,15-16H,4-6,8H2,1-3H3
InChIKeyXAZWEGJJEZZBPK-UHFFFAOYSA-N
MW381.36 g/mol
LogP3.09
Rot. Bonds5

About 2-bromo-N-(2,2-dimethylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

2-bromo-N-(2,2-dimethylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106071109) has the molecular formula C13H21BrN2O2S2 and a molecular weight of 381.36 g/mol. Its IUPAC name is 2-bromo-N-(2,2-dimethylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2,2-dimethylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106071109
Molecular FormulaC13H21BrN2O2S2
Molecular Weight381.36 g/mol
Exact Mass380.02
IUPAC Name2-bromo-N-(2,2-dimethylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCCC2(C)C)c(Br)s1
InChIInChI=1S/C13H21BrN2O2S2/c1-13(2)6-4-5-11(13)16-20(17,18)10-7-9(8-15-3)19-12(10)14/h7,11,15-16H,4-6,8H2,1-3H3
InChIKeyXAZWEGJJEZZBPK-UHFFFAOYSA-N
XLogP3.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2,2-dimethylcyclopentyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106071064
N-(2,2-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide
CID 106071112
N-(2,2-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106071372
N-(2,2-dimethylcyclopentyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070986
2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79872231
2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106091565
N-(3,3-dimethylcyclohexyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106072978
2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861380
2-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106062831
5-bromo-4-chloro-N-(2,2-dimethylcyclohexyl)thiophene-2-sulfonamide
CID 80580128
2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
CID 106018991
N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 79833951

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-dimethylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-N-(2,2-dimethylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106071109) is 2-bromo-N-(2,2-dimethylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-(2,2-dimethylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-N-(2,2-dimethylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NC2CCCC2(C)C)c(Br)s1.
What is the InChIKey of 2-bromo-N-(2,2-dimethylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is XAZWEGJJEZZBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2S2/c1-13(2)6-4-5-11(13)16-20(17,18)10-7-9(8-15-3)19-12(10)14/h7,11,15-16H,4-6,8H2,1-3H3.
What are the key properties of 2-bromo-N-(2,2-dimethylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
2-bromo-N-(2,2-dimethylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 381.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2-dimethylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106071109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).