N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylsulfanylpropanamide

C11H20BrNOS — CID 114317161

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCC1CCCC1CBr
InChIInChI=1S/C11H20BrNOS/c1-15-6-5-11(14)13-8-10-4-2-3-9(10)7-12/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyPWDYPWCIIGCHSZ-UHFFFAOYSA-N
MW294.26 g/mol
LogP2.67
Rot. Bonds6

About N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylsulfanylpropanamide

N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylsulfanylpropanamide (PubChem CID 114317161) has the molecular formula C11H20BrNOS and a molecular weight of 294.26 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylsulfanylpropanamide
PubChem CID114317161
Molecular FormulaC11H20BrNOS
Molecular Weight294.26 g/mol
Exact Mass293.04
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCC1CCCC1CBr
InChIInChI=1S/C11H20BrNOS/c1-15-6-5-11(14)13-8-10-4-2-3-9(10)7-12/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyPWDYPWCIIGCHSZ-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 52.67
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-(bromomethyl)cyclohexyl]methyl]butanamide
CID 114317286
N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide
CID 64929499
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide
CID 103166815
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-cyclopentylacetamide
CID 114317429
3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417690
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide
CID 114317113
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide
CID 107184223
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide
CID 114317193
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
CID 104522440
5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107910816
N-[[2-(bromomethyl)cyclopentyl]methyl]oxane-3-carboxamide
CID 114317134
N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420814

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylsulfanylpropanamide (CID 114317161) is N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylsulfanylpropanamide is CSCCC(=O)NCC1CCCC1CBr.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylsulfanylpropanamide?
The InChIKey is PWDYPWCIIGCHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNOS/c1-15-6-5-11(14)13-8-10-4-2-3-9(10)7-12/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylsulfanylpropanamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylsulfanylpropanamide has a molecular weight of 294.26 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 114317161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).