N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide

C14H26N2O2S — CID 66422109

IUPACN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCC1CCC(O)(CNC(=O)CC2CSCCN2)CC1
InChIInChI=1S/C14H26N2O2S/c1-11-2-4-14(18,5-3-11)10-16-13(17)8-12-9-19-7-6-15-12/h11-12,15,18H,2-10H2,1H3,(H,16,17)
InChIKeyWTHAWWMUWDFVDI-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.14
Rot. Bonds4

About N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66422109) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66422109
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCC1CCC(O)(CNC(=O)CC2CSCCN2)CC1
InChIInChI=1S/C14H26N2O2S/c1-11-2-4-14(18,5-3-11)10-16-13(17)8-12-9-19-7-6-15-12/h11-12,15,18H,2-10H2,1H3,(H,16,17)
InChIKeyWTHAWWMUWDFVDI-UHFFFAOYSA-N
XLogP1.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide (CID 66422109) is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide is CC1CCC(O)(CNC(=O)CC2CSCCN2)CC1.
What is the InChIKey of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is WTHAWWMUWDFVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-11-2-4-14(18,5-3-11)10-16-13(17)8-12-9-19-7-6-15-12/h11-12,15,18H,2-10H2,1H3,(H,16,17).
What are the key properties of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide?
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 286.44 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).