N-[1-(bromomethyl)cyclopentyl]-2-methyl-2-methylsulfonylpropanamide

C11H20BrNO3S — CID 114311384

IUPACN-[1-(bromomethyl)cyclopentyl]-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(C(=O)NC1(CBr)CCCC1)S(C)(=O)=O
InChIInChI=1S/C11H20BrNO3S/c1-10(2,17(3,15)16)9(14)13-11(8-12)6-4-5-7-11/h4-8H2,1-3H3,(H,13,14)
InChIKeySLZRZZWETWHMND-UHFFFAOYSA-N
MW326.26 g/mol
LogP1.63
Rot. Bonds4

About N-[1-(bromomethyl)cyclopentyl]-2-methyl-2-methylsulfonylpropanamide

N-[1-(bromomethyl)cyclopentyl]-2-methyl-2-methylsulfonylpropanamide (PubChem CID 114311384) has the molecular formula C11H20BrNO3S and a molecular weight of 326.26 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]-2-methyl-2-methylsulfonylpropanamide
PubChem CID114311384
Molecular FormulaC11H20BrNO3S
Molecular Weight326.26 g/mol
Exact Mass325.03
IUPAC NameN-[1-(bromomethyl)cyclopentyl]-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(C(=O)NC1(CBr)CCCC1)S(C)(=O)=O
InChIInChI=1S/C11H20BrNO3S/c1-10(2,17(3,15)16)9(14)13-11(8-12)6-4-5-7-11/h4-8H2,1-3H3,(H,13,14)
InChIKeySLZRZZWETWHMND-UHFFFAOYSA-N
XLogP1.63
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 51.63
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-[1-(bromomethyl)cyclopentyl]-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]-2-methyl-2-methylsulfonylpropanamide (CID 114311384) is N-[1-(bromomethyl)cyclopentyl]-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]-2-methyl-2-methylsulfonylpropanamide is CC(C)(C(=O)NC1(CBr)CCCC1)S(C)(=O)=O.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is SLZRZZWETWHMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO3S/c1-10(2,17(3,15)16)9(14)13-11(8-12)6-4-5-7-11/h4-8H2,1-3H3,(H,13,14).
What are the key properties of N-[1-(bromomethyl)cyclopentyl]-2-methyl-2-methylsulfonylpropanamide?
N-[1-(bromomethyl)cyclopentyl]-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 326.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 114311384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).