N-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide

C14H26N2OS — CID 119938410

IUPACN-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide
SMILESCC1CCC(C)(NC(=O)CC2CSCCN2)CC1
InChIInChI=1S/C14H26N2OS/c1-11-3-5-14(2,6-4-11)16-13(17)9-12-10-18-8-7-15-12/h11-12,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyMCPWBQVBJWPFRB-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.17
Rot. Bonds3

About N-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide

N-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119938410) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide
PubChem CID119938410
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide
SMILESCC1CCC(C)(NC(=O)CC2CSCCN2)CC1
InChIInChI=1S/C14H26N2OS/c1-11-3-5-14(2,6-4-11)16-13(17)9-12-10-18-8-7-15-12/h11-12,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyMCPWBQVBJWPFRB-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422109
N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide
CID 114100026
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420689
N-(1-cyclopropylethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935575
1-[(2-thiomorpholin-3-ylacetyl)amino]cycloheptane-1-carboxylic acid
CID 66422266
N-[1-(hydroxymethyl)cyclohexyl]-2-thiomorpholin-3-ylacetamide
CID 66422291
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-(1-methylcyclopentyl)-2-piperidin-2-ylacetamide
CID 64688449
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-(2-methyloxolan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 82728569
N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935112
N-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940106

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide (CID 119938410) is N-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide is CC1CCC(C)(NC(=O)CC2CSCCN2)CC1.
What is the InChIKey of N-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is MCPWBQVBJWPFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-11-3-5-14(2,6-4-11)16-13(17)9-12-10-18-8-7-15-12/h11-12,15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide?
N-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 270.44 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119938410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).