N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride

C9H17ClN2OS — CID 119935015

IUPACN-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NC1CC1
InChIInChI=1S/C9H16N2OS.ClH/c12-9(11-7-1-2-7)5-8-6-13-4-3-10-8;/h7-8,10H,1-6H2,(H,11,12);1H
InChIKeyWGWDUTXMLRWWJK-UHFFFAOYSA-N
MW236.77 g/mol
LogP0.78
Rot. Bonds3

About N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride

N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935015) has the molecular formula C9H17ClN2OS and a molecular weight of 236.77 g/mol. Its IUPAC name is N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935015
Molecular FormulaC9H17ClN2OS
Molecular Weight236.77 g/mol
Exact Mass236.08
IUPAC NameN-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NC1CC1
InChIInChI=1S/C9H16N2OS.ClH/c12-9(11-7-1-2-7)5-8-6-13-4-3-10-8;/h7-8,10H,1-6H2,(H,11,12);1H
InChIKeyWGWDUTXMLRWWJK-UHFFFAOYSA-N
XLogP0.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.77
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide
CID 114100026
N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 66420098
N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119941128
N-(1,1-dioxothiolan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 66422198
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941513
N-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 66420914
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935987
N-(1-cyclopropylethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935575
N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935112
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935471
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
CID 119936782
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
CID 119942509

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935015) is N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CSCCN1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is WGWDUTXMLRWWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS.ClH/c12-9(11-7-1-2-7)5-8-6-13-4-3-10-8;/h7-8,10H,1-6H2,(H,11,12);1H.
What are the key properties of N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 236.77 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).