N-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide

C11H22BrNOS — CID 106117955

IUPACN-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide
SMILESCCCC(CCBr)CNC(=O)CCSC
InChIInChI=1S/C11H22BrNOS/c1-3-4-10(5-7-12)9-13-11(14)6-8-15-2/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyBDOIQNOLHNTQIU-UHFFFAOYSA-N
MW296.27 g/mol
LogP3.06
Rot. Bonds9

About N-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide

N-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide (PubChem CID 106117955) has the molecular formula C11H22BrNOS and a molecular weight of 296.27 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide
PubChem CID106117955
Molecular FormulaC11H22BrNOS
Molecular Weight296.27 g/mol
Exact Mass295.06
IUPAC NameN-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide
SMILESCCCC(CCBr)CNC(=O)CCSC
InChIInChI=1S/C11H22BrNOS/c1-3-4-10(5-7-12)9-13-11(14)6-8-15-2/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyBDOIQNOLHNTQIU-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 53.06
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-[2-(2-bromoethyl)pentyl]-4-methylpentanamide
CID 106117996
N-(4-bromo-2-ethylbutyl)butanamide
CID 114317545
N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide
CID 103722907
N-[2-(2-bromoethyl)pentyl]-2-methylcyclopropane-1-carboxamide
CID 106117840
N-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide
CID 114145799
3-methylsulfanyl-N-propylpropanamide
CID 60637635
N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide
CID 106118076
N-[2-(2-bromoethyl)pentyl]-3-(3-methylphenoxy)propanamide
CID 106118154
N-(4-bromo-2-ethylbutyl)-3-cyclopentylpropanamide
CID 114317766
N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide
CID 114145851
N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide
CID 106117964
N-[2-(2-bromoethyl)pentyl]-1-methylcyclopentane-1-carboxamide
CID 106117908

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide (CID 106117955) is N-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide is CCCC(CCBr)CNC(=O)CCSC.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide?
The InChIKey is BDOIQNOLHNTQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNOS/c1-3-4-10(5-7-12)9-13-11(14)6-8-15-2/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide?
N-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide has a molecular weight of 296.27 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethyl)pentyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 106117955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).