N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide

C14H27N3O2S — CID 66422861

IUPACN-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
SMILESCN1CCC(N(CCO)C(=O)CC2CSCCN2)CC1
InChIInChI=1S/C14H27N3O2S/c1-16-5-2-13(3-6-16)17(7-8-18)14(19)10-12-11-20-9-4-15-12/h12-13,15,18H,2-11H2,1H3
InChIKeyVKDJSVCCLFXOPA-UHFFFAOYSA-N
MW301.46 g/mol
LogP-0.00
Rot. Bonds5

About N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide

N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66422861) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID66422861
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC NameN-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
SMILESCN1CCC(N(CCO)C(=O)CC2CSCCN2)CC1
InChIInChI=1S/C14H27N3O2S/c1-16-5-2-13(3-6-16)17(7-8-18)14(19)10-12-11-20-9-4-15-12/h12-13,15,18H,2-11H2,1H3
InChIKeyVKDJSVCCLFXOPA-UHFFFAOYSA-N
XLogP-0.00
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421018
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941363
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935274
N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937131
N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935780
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941640
2-[(1,1-dioxothiolan-3-yl)-(2-thiomorpholin-3-ylacetyl)amino]acetic acid
CID 66423067
N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422503
N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-3-piperidin-4-ylpropanamide
CID 62210223
N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422211
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66420023
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935607

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide (CID 66422861) is N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide is CN1CCC(N(CCO)C(=O)CC2CSCCN2)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is VKDJSVCCLFXOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-16-5-2-13(3-6-16)17(7-8-18)14(19)10-12-11-20-9-4-15-12/h12-13,15,18H,2-11H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide?
N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 301.46 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).