N-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide

C10H18BrNO2S — CID 114297143

IUPACN-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NC1(CBr)CCCC1
InChIInChI=1S/C10H18BrNO2S/c11-8-10(5-1-2-6-10)12-15(13,14)7-9-3-4-9/h9,12H,1-8H2
InChIKeyWQENKYQBULBTCW-UHFFFAOYSA-N
MW296.23 g/mol
LogP2.02
Rot. Bonds5

About N-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide

N-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide (PubChem CID 114297143) has the molecular formula C10H18BrNO2S and a molecular weight of 296.23 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide
PubChem CID114297143
Molecular FormulaC10H18BrNO2S
Molecular Weight296.23 g/mol
Exact Mass295.02
IUPAC NameN-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NC1(CBr)CCCC1
InChIInChI=1S/C10H18BrNO2S/c11-8-10(5-1-2-6-10)12-15(13,14)7-9-3-4-9/h9,12H,1-8H2
InChIKeyWQENKYQBULBTCW-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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Related Compounds

N-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide
CID 113271630
N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide
CID 64989622
N-[1-(bromomethyl)cyclopentyl]-1-(oxolan-2-yl)methanesulfonamide
CID 114297170
N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 113271040
N-[1-(aminomethyl)-3-methylcyclohexyl]-1-cyclopropylmethanesulfonamide
CID 64989375
N-[1-(bromomethyl)cyclohexyl]-3-methylbutane-1-sulfonamide
CID 114293779
1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide
CID 64987572
1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 77052442
1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 61454000
5-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-sulfonamide
CID 114297084
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methoxyethanesulfonamide
CID 114293958
N-[1-(bromomethyl)cyclopentyl]benzenesulfonamide
CID 114297176

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide (CID 114297143) is N-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide is O=S(=O)(CC1CC1)NC1(CBr)CCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is WQENKYQBULBTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2S/c11-8-10(5-1-2-6-10)12-15(13,14)7-9-3-4-9/h9,12H,1-8H2.
What are the key properties of N-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide?
N-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide 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-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 114297143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).