N-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide

C10H18BrNOS — CID 102873226

IUPACN-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(CCBr)C1CCC1
InChIInChI=1S/C10H18BrNOS/c1-14-8-5-10(13)12(7-6-11)9-3-2-4-9/h9H,2-8H2,1H3
InChIKeyZPWDGVCRWJRPHN-UHFFFAOYSA-N
MW280.23 g/mol
LogP2.52
Rot. Bonds6

About N-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide

N-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide (PubChem CID 102873226) has the molecular formula C10H18BrNOS and a molecular weight of 280.23 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide
PubChem CID102873226
Molecular FormulaC10H18BrNOS
Molecular Weight280.23 g/mol
Exact Mass279.03
IUPAC NameN-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(CCBr)C1CCC1
InChIInChI=1S/C10H18BrNOS/c1-14-8-5-10(13)12(7-6-11)9-3-2-4-9/h9H,2-8H2,1H3
InChIKeyZPWDGVCRWJRPHN-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-cyclobutyloctanamide
CID 102873095
N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide
CID 102873270
N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide
CID 80658610
N-(2-bromoethyl)-N-cyclohexyloctanamide
CID 80658420
3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102861214
N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide
CID 80659519
N-(2-bromoethyl)-N-cyclopropylpropanamide
CID 80665634
N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide
CID 102873056
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide
CID 80659612
N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
CID 80659104
N-(3-bromopropyl)-N-cyclobutylpropanamide
CID 102872394
N-(3-bromopropyl)-N-cyclobutyl-3-cyclopentylpropanamide
CID 102872516

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide (CID 102873226) is N-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide is CSCCC(=O)N(CCBr)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide?
The InChIKey is ZPWDGVCRWJRPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNOS/c1-14-8-5-10(13)12(7-6-11)9-3-2-4-9/h9H,2-8H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide?
N-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide has a molecular weight of 280.23 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 102873226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).