N-(2-bromo-2-cyclopropylethyl)cyclopentanesulfonamide

C10H18BrNO2S — CID 105361771

IUPACN-(2-bromo-2-cyclopropylethyl)cyclopentanesulfonamide
SMILESO=S(=O)(NCC(Br)C1CC1)C1CCCC1
InChIInChI=1S/C10H18BrNO2S/c11-10(8-5-6-8)7-12-15(13,14)9-3-1-2-4-9/h8-10,12H,1-7H2
InChIKeyBTHDNXWOUFRBHP-UHFFFAOYSA-N
MW296.23 g/mol
LogP2.02
Rot. Bonds5

About N-(2-bromo-2-cyclopropylethyl)cyclopentanesulfonamide

N-(2-bromo-2-cyclopropylethyl)cyclopentanesulfonamide (PubChem CID 105361771) has the molecular formula C10H18BrNO2S and a molecular weight of 296.23 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)cyclopentanesulfonamide
PubChem CID105361771
Molecular FormulaC10H18BrNO2S
Molecular Weight296.23 g/mol
Exact Mass295.02
IUPAC NameN-(2-bromo-2-cyclopropylethyl)cyclopentanesulfonamide
SMILESO=S(=O)(NCC(Br)C1CC1)C1CCCC1
InChIInChI=1S/C10H18BrNO2S/c11-10(8-5-6-8)7-12-15(13,14)9-3-1-2-4-9/h8-10,12H,1-7H2
InChIKeyBTHDNXWOUFRBHP-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)cyclopentanesulfonamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)cyclopentanesulfonamide (CID 105361771) is N-(2-bromo-2-cyclopropylethyl)cyclopentanesulfonamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)cyclopentanesulfonamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)cyclopentanesulfonamide is O=S(=O)(NCC(Br)C1CC1)C1CCCC1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)cyclopentanesulfonamide?
The InChIKey is BTHDNXWOUFRBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2S/c11-10(8-5-6-8)7-12-15(13,14)9-3-1-2-4-9/h8-10,12H,1-7H2.
What are the key properties of N-(2-bromo-2-cyclopropylethyl)cyclopentanesulfonamide?
N-(2-bromo-2-cyclopropylethyl)cyclopentanesulfonamide has a molecular weight of 296.23 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)cyclopentanesulfonamide is sourced from PubChem (CID 105361771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).