N-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide

C11H20BrNO3S — CID 114313788

IUPACN-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(C(=O)NCC1CCCC1Br)S(C)(=O)=O
InChIInChI=1S/C11H20BrNO3S/c1-11(2,17(3,15)16)10(14)13-7-8-5-4-6-9(8)12/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyRRHVRPFATOPSEU-UHFFFAOYSA-N
MW326.26 g/mol
LogP1.49
Rot. Bonds4

About N-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide

N-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide (PubChem CID 114313788) has the molecular formula C11H20BrNO3S and a molecular weight of 326.26 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide
PubChem CID114313788
Molecular FormulaC11H20BrNO3S
Molecular Weight326.26 g/mol
Exact Mass325.03
IUPAC NameN-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(C(=O)NCC1CCCC1Br)S(C)(=O)=O
InChIInChI=1S/C11H20BrNO3S/c1-11(2,17(3,15)16)10(14)13-7-8-5-4-6-9(8)12/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyRRHVRPFATOPSEU-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate
CID 114313805
N-[(2-bromocyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 104522412
N-[(4-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide
CID 114146309
N-[(2-bromocyclohexyl)methyl]acetamide
CID 114312171
N-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
CID 114313834
N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide
CID 114313732
N-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide
CID 114312233
N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide
CID 114312260
N-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide
CID 115364914
N-[(2-bromocyclohexyl)methyl]-5-methyloxolane-2-carboxamide
CID 114312330
N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide
CID 114313897
N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide
CID 114313710

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide (CID 114313788) is N-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide is CC(C)(C(=O)NCC1CCCC1Br)S(C)(=O)=O.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is RRHVRPFATOPSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO3S/c1-11(2,17(3,15)16)10(14)13-7-8-5-4-6-9(8)12/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide?
N-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 326.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 114313788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).