N-[(3-bromocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide

C11H16BrNO2S2 — CID 106134969

IUPACN-[(3-bromocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCC(Br)C2)s1
InChIInChI=1S/C11H16BrNO2S2/c1-8-2-5-11(16-8)17(14,15)13-7-9-3-4-10(12)6-9/h2,5,9-10,13H,3-4,6-7H2,1H3
InChIKeyABKQQIBOWWUAKZ-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.90
Rot. Bonds4

About N-[(3-bromocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide

N-[(3-bromocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide (PubChem CID 106134969) has the molecular formula C11H16BrNO2S2 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide
PubChem CID106134969
Molecular FormulaC11H16BrNO2S2
Molecular Weight338.29 g/mol
Exact Mass336.98
IUPAC NameN-[(3-bromocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCC(Br)C2)s1
InChIInChI=1S/C11H16BrNO2S2/c1-8-2-5-11(16-8)17(14,15)13-7-9-3-4-10(12)6-9/h2,5,9-10,13H,3-4,6-7H2,1H3
InChIKeyABKQQIBOWWUAKZ-UHFFFAOYSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide
CID 106135049
N-[(3-chlorocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide
CID 106135175
N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide
CID 106135842
N-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide
CID 114295850
N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 16887802
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
5-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
CID 129334999
N-[(3-bromocyclopentyl)methyl]-1,2-dimethylimidazole-4-sulfonamide
CID 114148149
N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 95259518
5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106272019
N-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide
CID 106304861
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 106126554

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide (CID 106134969) is N-[(3-bromocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC2CCC(Br)C2)s1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is ABKQQIBOWWUAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S2/c1-8-2-5-11(16-8)17(14,15)13-7-9-3-4-10(12)6-9/h2,5,9-10,13H,3-4,6-7H2,1H3.
What are the key properties of N-[(3-bromocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide?
N-[(3-bromocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 338.29 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106134969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).