N-[(1-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide

C10H19NO2S — CID 64867836

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C10H19NO2S/c1-14-7-9(12)11-8-10(13)5-3-2-4-6-10/h13H,2-8H2,1H3,(H,11,12)
InChIKeyFAAIYGSZEQTRMK-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.16
Rot. Bonds4

About N-[(1-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide

N-[(1-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide (PubChem CID 64867836) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide
PubChem CID64867836
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C10H19NO2S/c1-14-7-9(12)11-8-10(13)5-3-2-4-6-10/h13H,2-8H2,1H3,(H,11,12)
InChIKeyFAAIYGSZEQTRMK-UHFFFAOYSA-N
XLogP1.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide (CID 64867836) is N-[(1-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide is CSCC(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide?
The InChIKey is FAAIYGSZEQTRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-14-7-9(12)11-8-10(13)5-3-2-4-6-10/h13H,2-8H2,1H3,(H,11,12).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide?
N-[(1-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide has a molecular weight of 217.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 64867836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).