N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C13H25ClN2OS — CID 119935112

IUPACN-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC1CCCCC1NC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C13H24N2OS.ClH/c1-10-4-2-3-5-12(10)15-13(16)8-11-9-17-7-6-14-11;/h10-12,14H,2-9H2,1H3,(H,15,16);1H
InChIKeySGTKRPBEMCNQNK-UHFFFAOYSA-N
MW292.88 g/mol
LogP2.20
Rot. Bonds3

About N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935112) has the molecular formula C13H25ClN2OS and a molecular weight of 292.88 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935112
Molecular FormulaC13H25ClN2OS
Molecular Weight292.88 g/mol
Exact Mass292.14
IUPAC NameN-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC1CCCCC1NC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C13H24N2OS.ClH/c1-10-4-2-3-5-12(10)15-13(16)8-11-9-17-7-6-14-11;/h10-12,14H,2-9H2,1H3,(H,15,16);1H
InChIKeySGTKRPBEMCNQNK-UHFFFAOYSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.88
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyloxolan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 82728569
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide
CID 114100026
N-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939490
N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide
CID 66421807
N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119941128
N-(2-methylcyclohexyl)-2-(3-methylpiperidin-2-yl)acetamide
CID 107147462
N-(1-cyclopropylethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935575
1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119938341
N-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 66420914
N-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide
CID 119938410
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119942283

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935112) is N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is CC1CCCCC1NC(=O)CC1CSCCN1.Cl.
What is the InChIKey of N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is SGTKRPBEMCNQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS.ClH/c1-10-4-2-3-5-12(10)15-13(16)8-11-9-17-7-6-14-11;/h10-12,14H,2-9H2,1H3,(H,15,16);1H.
What are the key properties of N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 292.88 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).