N-(2-bromocyclopentyl)-1-cyclopropylmethanesulfonamide

C9H16BrNO2S — CID 80662950

IUPACN-(2-bromocyclopentyl)-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NC1CCCC1Br
InChIInChI=1S/C9H16BrNO2S/c10-8-2-1-3-9(8)11-14(12,13)6-7-4-5-7/h7-9,11H,1-6H2
InChIKeyZEJMOCUHCKCZIB-UHFFFAOYSA-N
MW282.20 g/mol
LogP1.63
Rot. Bonds4

About N-(2-bromocyclopentyl)-1-cyclopropylmethanesulfonamide

N-(2-bromocyclopentyl)-1-cyclopropylmethanesulfonamide (PubChem CID 80662950) has the molecular formula C9H16BrNO2S and a molecular weight of 282.20 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-1-cyclopropylmethanesulfonamide
PubChem CID80662950
Molecular FormulaC9H16BrNO2S
Molecular Weight282.20 g/mol
Exact Mass281.01
IUPAC NameN-(2-bromocyclopentyl)-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NC1CCCC1Br
InChIInChI=1S/C9H16BrNO2S/c10-8-2-1-3-9(8)11-14(12,13)6-7-4-5-7/h7-9,11H,1-6H2
InChIKeyZEJMOCUHCKCZIB-UHFFFAOYSA-N
XLogP1.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 51.63
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-bromocyclopentyl)-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)-1-cyclopropylmethanesulfonamide (CID 80662950) is N-(2-bromocyclopentyl)-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)-1-cyclopropylmethanesulfonamide is O=S(=O)(CC1CC1)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)-1-cyclopropylmethanesulfonamide?
The InChIKey is ZEJMOCUHCKCZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO2S/c10-8-2-1-3-9(8)11-14(12,13)6-7-4-5-7/h7-9,11H,1-6H2.
What are the key properties of N-(2-bromocyclopentyl)-1-cyclopropylmethanesulfonamide?
N-(2-bromocyclopentyl)-1-cyclopropylmethanesulfonamide has a molecular weight of 282.20 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 80662950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).