2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide

C14H25N3O3S — CID 66422654

IUPAC2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide
SMILESCOCC(=O)NC1CCN(C(=O)CC2CSCCN2)CC1
InChIInChI=1S/C14H25N3O3S/c1-20-9-13(18)16-11-2-5-17(6-3-11)14(19)8-12-10-21-7-4-15-12/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeyJMTGFWBMYCSQCG-UHFFFAOYSA-N
MW315.44 g/mol
LogP-0.16
Rot. Bonds5

About 2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide

2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide (PubChem CID 66422654) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide
PubChem CID66422654
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide
SMILESCOCC(=O)NC1CCN(C(=O)CC2CSCCN2)CC1
InChIInChI=1S/C14H25N3O3S/c1-20-9-13(18)16-11-2-5-17(6-3-11)14(19)8-12-10-21-7-4-15-12/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeyJMTGFWBMYCSQCG-UHFFFAOYSA-N
XLogP-0.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide
CID 66422049
1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422101
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941513
N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide
CID 119940142
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]-2-methoxyacetamide
CID 64611592
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
CID 119936782
1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420291
5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 119938169
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 66420098
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 119938389

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide (CID 66422654) is 2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide is COCC(=O)NC1CCN(C(=O)CC2CSCCN2)CC1.
What is the InChIKey of 2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide?
The InChIKey is JMTGFWBMYCSQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-20-9-13(18)16-11-2-5-17(6-3-11)14(19)8-12-10-21-7-4-15-12/h11-12,15H,2-10H2,1H3,(H,16,18).
What are the key properties of 2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide?
2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide has a molecular weight of 315.44 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 66422654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).