N-[(4-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide

C10H19NO2S — CID 106121584

IUPACN-[(4-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C10H19NO2S/c1-14-7-10(13)11-6-8-2-4-9(12)5-3-8/h8-9,12H,2-7H2,1H3,(H,11,13)
InChIKeyMUZFJJPTWDBXIT-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.02
Rot. Bonds4

About N-[(4-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide

N-[(4-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide (PubChem CID 106121584) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide
PubChem CID106121584
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C10H19NO2S/c1-14-7-10(13)11-6-8-2-4-9(12)5-3-8/h8-9,12H,2-7H2,1H3,(H,11,13)
InChIKeyMUZFJJPTWDBXIT-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide (CID 106121584) is N-[(4-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide is CSCC(=O)NCC1CCC(O)CC1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide?
The InChIKey is MUZFJJPTWDBXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-14-7-10(13)11-6-8-2-4-9(12)5-3-8/h8-9,12H,2-7H2,1H3,(H,11,13).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide?
N-[(4-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide has a molecular weight of 217.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 106121584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).