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

C12H18BrNO2S2 — CID 106367504

IUPACN-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCCC2CBr)s1
InChIInChI=1S/C12H18BrNO2S2/c1-2-10-6-7-12(17-10)18(15,16)14-11-5-3-4-9(11)8-13/h6-7,9,11,14H,2-5,8H2,1H3
InChIKeyZTCSIKDEXVYSCR-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.15
Rot. Bonds5

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

N-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 106367504) has the molecular formula C12H18BrNO2S2 and a molecular weight of 352.32 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
PubChem CID106367504
Molecular FormulaC12H18BrNO2S2
Molecular Weight352.32 g/mol
Exact Mass351.00
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCCC2CBr)s1
InChIInChI=1S/C12H18BrNO2S2/c1-2-10-6-7-12(17-10)18(15,16)14-11-5-3-4-9(11)8-13/h6-7,9,11,14H,2-5,8H2,1H3
InChIKeyZTCSIKDEXVYSCR-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.15
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]methyl]-5-ethylthiophene-2-sulfonamide
CID 113271283
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
CID 76978334
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 106359332
N-[2-(hydroxymethyl)cyclopentyl]-5-methylthiophene-2-sulfonamide
CID 113318676
4-[(5-ethylthiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 61454626
N-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide
CID 97056164
5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106001276
N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106064252
4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide
CID 106367478
N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide
CID 106135842

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide (CID 106367504) is N-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NC2CCCC2CBr)s1.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is ZTCSIKDEXVYSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S2/c1-2-10-6-7-12(17-10)18(15,16)14-11-5-3-4-9(11)8-13/h6-7,9,11,14H,2-5,8H2,1H3.
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide?
N-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 352.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 106367504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).