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

C17H25ClN2OS2 — CID 119936955

IUPACN-(2-cyclopentylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C17H24N2OS2.ClH/c20-17(11-13-12-21-10-9-18-13)19-15-7-3-4-8-16(15)22-14-5-1-2-6-14;/h3-4,7-8,13-14,18H,1-2,5-6,9-12H2,(H,19,20);1H
InChIKeyHZHREILXCDXOAP-UHFFFAOYSA-N
MW372.99 g/mol
LogP4.18
Rot. Bonds5

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

N-(2-cyclopentylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119936955) has the molecular formula C17H25ClN2OS2 and a molecular weight of 372.99 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119936955
Molecular FormulaC17H25ClN2OS2
Molecular Weight372.99 g/mol
Exact Mass372.11
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C17H24N2OS2.ClH/c20-17(11-13-12-21-10-9-18-13)19-15-7-3-4-8-16(15)22-14-5-1-2-6-14;/h3-4,7-8,13-14,18H,1-2,5-6,9-12H2,(H,19,20);1H
InChIKeyHZHREILXCDXOAP-UHFFFAOYSA-N
XLogP4.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.99
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119936148
N-(2-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119934863
N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042
N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119937230
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935046
N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 66420040
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935667
N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 119936161
2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 66421203
N-(2-cyclopentylsulfanylphenyl)-2-morpholin-2-ylacetamide
CID 119042060
N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420642
N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941468

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119936955) is N-(2-cyclopentylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CSCCN1)Nc1ccccc1SC1CCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is HZHREILXCDXOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS2.ClH/c20-17(11-13-12-21-10-9-18-13)19-15-7-3-4-8-16(15)22-14-5-1-2-6-14;/h3-4,7-8,13-14,18H,1-2,5-6,9-12H2,(H,19,20);1H.
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(2-cyclopentylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 372.99 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119936955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).