N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide

C17H31N3O2S — CID 119936782

IUPACN-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)CC2CSCCN2)CC1
InChIInChI=1S/C17H31N3O2S/c1-3-13(4-2)17(22)20-8-5-14(6-9-20)19-16(21)11-15-12-23-10-7-18-15/h13-15,18H,3-12H2,1-2H3,(H,19,21)
InChIKeyDWVKBRPBKXGILD-UHFFFAOYSA-N
MW341.52 g/mol
LogP1.62
Rot. Bonds6

About N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide

N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119936782) has the molecular formula C17H31N3O2S and a molecular weight of 341.52 g/mol. Its IUPAC name is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
PubChem CID119936782
Molecular FormulaC17H31N3O2S
Molecular Weight341.52 g/mol
Exact Mass341.21
IUPAC NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)CC2CSCCN2)CC1
InChIInChI=1S/C17H31N3O2S/c1-3-13(4-2)17(22)20-8-5-14(6-9-20)19-16(21)11-15-12-23-10-7-18-15/h13-15,18H,3-12H2,1-2H3,(H,19,21)
InChIKeyDWVKBRPBKXGILD-UHFFFAOYSA-N
XLogP1.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 66420098
N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide
CID 119940142
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119941128
N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119935763
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
CID 119942509
2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide
CID 66422049
2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide
CID 66422654
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941513
N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide
CID 114100026
N-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 119940120
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820033

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide (CID 119936782) is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide is CCC(CC)C(=O)N1CCC(NC(=O)CC2CSCCN2)CC1.
What is the InChIKey of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is DWVKBRPBKXGILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2S/c1-3-13(4-2)17(22)20-8-5-14(6-9-20)19-16(21)11-15-12-23-10-7-18-15/h13-15,18H,3-12H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide?
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 341.52 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119936782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).