N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide

C13H20BrNO2S2 — CID 113271283

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCCC2CBr)s1
InChIInChI=1S/C13H20BrNO2S2/c1-2-12-6-7-13(18-12)19(16,17)15-9-11-5-3-4-10(11)8-14/h6-7,10-11,15H,2-5,8-9H2,1H3
InChIKeySBQYEDDSMANSQT-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.40
Rot. Bonds6

About N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide

N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 113271283) has the molecular formula C13H20BrNO2S2 and a molecular weight of 366.35 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide
PubChem CID113271283
Molecular FormulaC13H20BrNO2S2
Molecular Weight366.35 g/mol
Exact Mass365.01
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCCC2CBr)s1
InChIInChI=1S/C13H20BrNO2S2/c1-2-12-6-7-13(18-12)19(16,17)15-9-11-5-3-4-10(11)8-14/h6-7,10-11,15H,2-5,8-9H2,1H3
InChIKeySBQYEDDSMANSQT-UHFFFAOYSA-N
XLogP3.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.40
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-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
CID 106367504
N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide
CID 106135842
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 106126554
N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide
CID 66007182
N-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 114295389
5-[2-(methylamino)ethyl]-N-[(2-methylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 106018540
N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide
CID 47304567
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide
CID 61454174
5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 16887547
5-ethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 90619991

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide (CID 113271283) is N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCC2CCCC2CBr)s1.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is SBQYEDDSMANSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2S2/c1-2-12-6-7-13(18-12)19(16,17)15-9-11-5-3-4-10(11)8-14/h6-7,10-11,15H,2-5,8-9H2,1H3.
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 366.35 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 113271283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).