N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide

C13H24N2O2S — CID 66422291

IUPACN-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC1(CO)CCCCC1
InChIInChI=1S/C13H24N2O2S/c16-10-13(4-2-1-3-5-13)15-12(17)8-11-9-18-7-6-14-11/h11,14,16H,1-10H2,(H,15,17)
InChIKeyVIXMJRJSASGWGF-UHFFFAOYSA-N
MW272.41 g/mol
LogP0.89
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide

N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66422291) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66422291
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC1(CO)CCCCC1
InChIInChI=1S/C13H24N2O2S/c16-10-13(4-2-1-3-5-13)15-12(17)8-11-9-18-7-6-14-11/h11,14,16H,1-10H2,(H,15,17)
InChIKeyVIXMJRJSASGWGF-UHFFFAOYSA-N
XLogP0.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid
CID 66422266
N-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422108
N-[1-(hydroxymethyl)cyclopentyl]thiomorpholine-3-carboxamide
CID 82908673
N-[1-(hydroxymethyl)cyclopentyl]-2-(thian-4-yl)acetamide
CID 83135530
N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide
CID 119935796
N-[1-(hydroxymethyl)cyclobutyl]-2-(thian-4-yl)acetamide
CID 115878099
N-[(1-propylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119940566
N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119935290
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide
CID 119938410
N-[1-(hydroxymethyl)cyclohexyl]-2-piperidin-4-ylacetamide
CID 62551511
N-(1-cyclopropylethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935575

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide (CID 66422291) is N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NC1(CO)CCCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is VIXMJRJSASGWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c16-10-13(4-2-1-3-5-13)15-12(17)8-11-9-18-7-6-14-11/h11,14,16H,1-10H2,(H,15,17).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide?
N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 272.41 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).