N-(2-bromocyclopentyl)-2-methylpropane-1-sulfonamide

C9H18BrNO2S — CID 80663053

IUPACN-(2-bromocyclopentyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C9H18BrNO2S/c1-7(2)6-14(12,13)11-9-5-3-4-8(9)10/h7-9,11H,3-6H2,1-2H3
InChIKeyKSNFWNDTFLXEHI-UHFFFAOYSA-N
MW284.22 g/mol
LogP1.88
Rot. Bonds4

About N-(2-bromocyclopentyl)-2-methylpropane-1-sulfonamide

N-(2-bromocyclopentyl)-2-methylpropane-1-sulfonamide (PubChem CID 80663053) has the molecular formula C9H18BrNO2S and a molecular weight of 284.22 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-2-methylpropane-1-sulfonamide
PubChem CID80663053
Molecular FormulaC9H18BrNO2S
Molecular Weight284.22 g/mol
Exact Mass283.02
IUPAC NameN-(2-bromocyclopentyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C9H18BrNO2S/c1-7(2)6-14(12,13)11-9-5-3-4-8(9)10/h7-9,11H,3-6H2,1-2H3
InChIKeyKSNFWNDTFLXEHI-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 51.88
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)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)-2-methylpropane-1-sulfonamide (CID 80663053) is N-(2-bromocyclopentyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)-2-methylpropane-1-sulfonamide?
The InChIKey is KSNFWNDTFLXEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2S/c1-7(2)6-14(12,13)11-9-5-3-4-8(9)10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of N-(2-bromocyclopentyl)-2-methylpropane-1-sulfonamide?
N-(2-bromocyclopentyl)-2-methylpropane-1-sulfonamide has a molecular weight of 284.22 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 80663053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).