N-(2-bromocyclopentyl)-3-methylbutane-1-sulfonamide

C10H20BrNO2S — CID 80663045

IUPACN-(2-bromocyclopentyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C10H20BrNO2S/c1-8(2)6-7-15(13,14)12-10-5-3-4-9(10)11/h8-10,12H,3-7H2,1-2H3
InChIKeyDXKWTGGMWYQLJB-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.27
Rot. Bonds5

About N-(2-bromocyclopentyl)-3-methylbutane-1-sulfonamide

N-(2-bromocyclopentyl)-3-methylbutane-1-sulfonamide (PubChem CID 80663045) has the molecular formula C10H20BrNO2S and a molecular weight of 298.25 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-3-methylbutane-1-sulfonamide
PubChem CID80663045
Molecular FormulaC10H20BrNO2S
Molecular Weight298.25 g/mol
Exact Mass297.04
IUPAC NameN-(2-bromocyclopentyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C10H20BrNO2S/c1-8(2)6-7-15(13,14)12-10-5-3-4-9(10)11/h8-10,12H,3-7H2,1-2H3
InChIKeyDXKWTGGMWYQLJB-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-3-methylbutane-1-sulfonamide
CID 63082223
N-(2-bromocyclopentyl)butane-1-sulfonamide
CID 80661541
N-(2-bromocyclopentyl)cyclopropanesulfonamide
CID 80661546
N-(2-bromocyclopentyl)propane-1-sulfonamide
CID 80661645
N-(2-bromocyclopentyl)-2-methylsulfonylethanesulfonamide
CID 80661960
N-(2-bromocyclopentyl)-1-cyanoethanesulfonamide
CID 80662054
N-(2-bromocyclopentyl)-1-cyclohexylmethanesulfonamide
CID 80662147
N-(2-bromocyclopentyl)propane-2-sulfonamide
CID 80662342
N-(2-bromocyclopentyl)ethanesulfonamide
CID 80662543
N-(2-bromocyclopentyl)cyclohexanesulfonamide
CID 80662545
N-(2-bromocyclopentyl)-3-methoxypropane-1-sulfonamide
CID 80662744
N-(2-bromocyclopentyl)-2-methoxyethanesulfonamide
CID 80662841

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)-3-methylbutane-1-sulfonamide (CID 80663045) is N-(2-bromocyclopentyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)-3-methylbutane-1-sulfonamide?
The InChIKey is DXKWTGGMWYQLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2S/c1-8(2)6-7-15(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)-3-methylbutane-1-sulfonamide?
N-(2-bromocyclopentyl)-3-methylbutane-1-sulfonamide has a molecular weight of 298.25 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 80663045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).