N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C17H25ClN2O2S — CID 119936476

IUPACN-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccccc1CN(C(=O)CC1CSCCN1)C1CC1.Cl
InChIInChI=1S/C17H24N2O2S.ClH/c1-21-16-5-3-2-4-13(16)11-19(15-6-7-15)17(20)10-14-12-22-9-8-18-14;/h2-5,14-15,18H,6-12H2,1H3;1H
InChIKeyMJQFASHFTPNPMG-UHFFFAOYSA-N
MW356.92 g/mol
LogP2.70
Rot. Bonds6

About N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119936476) has the molecular formula C17H25ClN2O2S and a molecular weight of 356.92 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119936476
Molecular FormulaC17H25ClN2O2S
Molecular Weight356.92 g/mol
Exact Mass356.13
IUPAC NameN-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccccc1CN(C(=O)CC1CSCCN1)C1CC1.Cl
InChIInChI=1S/C17H24N2O2S.ClH/c1-21-16-5-3-2-4-13(16)11-19(15-6-7-15)17(20)10-14-12-22-9-8-18-14;/h2-5,14-15,18H,6-12H2,1H3;1H
InChIKeyMJQFASHFTPNPMG-UHFFFAOYSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.92
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935259
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66420085
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935607
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937075
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935635
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935303
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
N-cyclopropyl-2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119715404
N-benzyl-N-(4-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935581
N-cyclopropyl-2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974150
ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
CID 61068925

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119936476) is N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is COc1ccccc1CN(C(=O)CC1CSCCN1)C1CC1.Cl.
What is the InChIKey of N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is MJQFASHFTPNPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S.ClH/c1-21-16-5-3-2-4-13(16)11-19(15-6-7-15)17(20)10-14-12-22-9-8-18-14;/h2-5,14-15,18H,6-12H2,1H3;1H.
What are the key properties of N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 356.92 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119936476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).