N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride

C14H27ClN2OS — CID 119935780

IUPACN-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCN(C(=O)CC1CSCCN1)C1CCCCCC1.Cl
InChIInChI=1S/C14H26N2OS.ClH/c1-16(13-6-4-2-3-5-7-13)14(17)10-12-11-18-9-8-15-12;/h12-13,15H,2-11H2,1H3;1H
InChIKeyGRUNFWSTEAUKPD-UHFFFAOYSA-N
MW306.90 g/mol
LogP2.68
Rot. Bonds3

About N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride

N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935780) has the molecular formula C14H27ClN2OS and a molecular weight of 306.90 g/mol. Its IUPAC name is N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935780
Molecular FormulaC14H27ClN2OS
Molecular Weight306.90 g/mol
Exact Mass306.15
IUPAC NameN-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCN(C(=O)CC1CSCCN1)C1CCCCCC1.Cl
InChIInChI=1S/C14H26N2OS.ClH/c1-16(13-6-4-2-3-5-7-13)14(17)10-12-11-18-9-8-15-12;/h12-13,15H,2-11H2,1H3;1H
InChIKeyGRUNFWSTEAUKPD-UHFFFAOYSA-N
XLogP2.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.90
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421018
N-cycloheptyl-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370216
N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937131
N-cyclopentyl-N-(oxolan-2-ylmethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939929
N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422211
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940408
N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide
CID 66422213
N-(3-ethoxyspiro[3.4]octan-1-yl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119939729
1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422913
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941363
N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422503
N-(1-ethylpiperidin-4-yl)-N-methyl-2-piperidin-2-ylacetamide
CID 55002831

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935780) is N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride is CN(C(=O)CC1CSCCN1)C1CCCCCC1.Cl.
What is the InChIKey of N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is GRUNFWSTEAUKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS.ClH/c1-16(13-6-4-2-3-5-7-13)14(17)10-12-11-18-9-8-15-12;/h12-13,15H,2-11H2,1H3;1H.
What are the key properties of N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 306.90 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).