N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide

C11H20BrNOS — CID 103969662

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C11H20BrNOS/c1-15-7-10(14)13-9-11(8-12)5-3-2-4-6-11/h2-9H2,1H3,(H,13,14)
InChIKeyVOHLRCKFJMUVLR-UHFFFAOYSA-N
MW294.26 g/mol
LogP2.81
Rot. Bonds5

About N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide

N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide (PubChem CID 103969662) has the molecular formula C11H20BrNOS and a molecular weight of 294.26 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide
PubChem CID103969662
Molecular FormulaC11H20BrNOS
Molecular Weight294.26 g/mol
Exact Mass293.04
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C11H20BrNOS/c1-15-7-10(14)13-9-11(8-12)5-3-2-4-6-11/h2-9H2,1H3,(H,13,14)
InChIKeyVOHLRCKFJMUVLR-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 52.81
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-[[1-(bromomethyl)cyclohexyl]methyl]propanamide
CID 103969670
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylsulfanylacetamide
CID 114758008
N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide
CID 103969906
N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 103969722
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 114877037
2-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104570312
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166823
N-(1-methylcyclopentyl)-2-methylsulfanylacetamide
CID 131154660
N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide
CID 115456236
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide
CID 115456501
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide
CID 115456298
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
CID 103848673

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide (CID 103969662) is N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide is CSCC(=O)NCC1(CBr)CCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide?
The InChIKey is VOHLRCKFJMUVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNOS/c1-15-7-10(14)13-9-11(8-12)5-3-2-4-6-11/h2-9H2,1H3,(H,13,14).
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide?
N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide has a molecular weight of 294.26 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 103969662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).