N-(2-bromocyclopentyl)-2-propan-2-yloxyethanesulfonamide

C10H20BrNO3S — CID 80661747

IUPACN-(2-bromocyclopentyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C10H20BrNO3S/c1-8(2)15-6-7-16(13,14)12-10-5-3-4-9(10)11/h8-10,12H,3-7H2,1-2H3
InChIKeyPNIZPIHGPZHDCP-UHFFFAOYSA-N
MW314.25 g/mol
LogP1.65
Rot. Bonds6

About N-(2-bromocyclopentyl)-2-propan-2-yloxyethanesulfonamide

N-(2-bromocyclopentyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 80661747) has the molecular formula C10H20BrNO3S and a molecular weight of 314.25 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID80661747
Molecular FormulaC10H20BrNO3S
Molecular Weight314.25 g/mol
Exact Mass313.03
IUPAC NameN-(2-bromocyclopentyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C10H20BrNO3S/c1-8(2)15-6-7-16(13,14)12-10-5-3-4-9(10)11/h8-10,12H,3-7H2,1-2H3
InChIKeyPNIZPIHGPZHDCP-UHFFFAOYSA-N
XLogP1.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)-2-propan-2-yloxyethanesulfonamide (CID 80661747) is N-(2-bromocyclopentyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is PNIZPIHGPZHDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO3S/c1-8(2)15-6-7-16(13,14)12-10-5-3-4-9(10)11/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-(2-bromocyclopentyl)-2-propan-2-yloxyethanesulfonamide?
N-(2-bromocyclopentyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 314.25 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 80661747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).