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

C18H27ClN2OS — CID 119939490

IUPACN-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NC1CCCC1Cc1ccccc1
InChIInChI=1S/C18H26N2OS.ClH/c21-18(12-16-13-22-10-9-19-16)20-17-8-4-7-15(17)11-14-5-2-1-3-6-14;/h1-3,5-6,15-17,19H,4,7-13H2,(H,20,21);1H
InChIKeyJBMJHCYJIIDZNN-UHFFFAOYSA-N
MW354.95 g/mol
LogP3.03
Rot. Bonds5

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

N-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119939490) has the molecular formula C18H27ClN2OS and a molecular weight of 354.95 g/mol. Its IUPAC name is N-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119939490
Molecular FormulaC18H27ClN2OS
Molecular Weight354.95 g/mol
Exact Mass354.15
IUPAC NameN-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NC1CCCC1Cc1ccccc1
InChIInChI=1S/C18H26N2OS.ClH/c21-18(12-16-13-22-10-9-19-16)20-17-8-4-7-15(17)11-14-5-2-1-3-6-14;/h1-3,5-6,15-17,19H,4,7-13H2,(H,20,21);1H
InChIKeyJBMJHCYJIIDZNN-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.95
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942182
N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935112
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119942283
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935385
N-(2-oxo-1-phenylpiperidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939260
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935471
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940149
N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide
CID 119935796
N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935530
N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119939505
N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119935763

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119939490) is N-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CSCCN1)NC1CCCC1Cc1ccccc1.
What is the InChIKey of N-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is JBMJHCYJIIDZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS.ClH/c21-18(12-16-13-22-10-9-19-16)20-17-8-4-7-15(17)11-14-5-2-1-3-6-14;/h1-3,5-6,15-17,19H,4,7-13H2,(H,20,21);1H.
What are the key properties of N-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 354.95 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119939490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).