N-[2-(chloromethyl)cyclohexyl]-2-methylsulfanylacetamide

C10H18ClNOS — CID 106366717

IUPACN-[2-(chloromethyl)cyclohexyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NC1CCCCC1CCl
InChIInChI=1S/C10H18ClNOS/c1-14-7-10(13)12-9-5-3-2-4-8(9)6-11/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyRWSBYITYNLZYDQ-UHFFFAOYSA-N
MW235.78 g/mol
LogP2.26
Rot. Bonds4

About N-[2-(chloromethyl)cyclohexyl]-2-methylsulfanylacetamide

N-[2-(chloromethyl)cyclohexyl]-2-methylsulfanylacetamide (PubChem CID 106366717) has the molecular formula C10H18ClNOS and a molecular weight of 235.78 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-2-methylsulfanylacetamide
PubChem CID106366717
Molecular FormulaC10H18ClNOS
Molecular Weight235.78 g/mol
Exact Mass235.08
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NC1CCCCC1CCl
InChIInChI=1S/C10H18ClNOS/c1-14-7-10(13)12-9-5-3-2-4-8(9)6-11/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyRWSBYITYNLZYDQ-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.78
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2-methylsulfanylacetamide (CID 106366717) is N-[2-(chloromethyl)cyclohexyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-2-methylsulfanylacetamide is CSCC(=O)NC1CCCCC1CCl.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-2-methylsulfanylacetamide?
The InChIKey is RWSBYITYNLZYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNOS/c1-14-7-10(13)12-9-5-3-2-4-8(9)6-11/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-2-methylsulfanylacetamide?
N-[2-(chloromethyl)cyclohexyl]-2-methylsulfanylacetamide has a molecular weight of 235.78 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 106366717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).