2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide

C15H27N3O2S — CID 66422049

IUPAC2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)CC2CSCCN2)CC1
InChIInChI=1S/C15H27N3O2S/c1-11(2)15(20)17-12-3-6-18(7-4-12)14(19)9-13-10-21-8-5-16-13/h11-13,16H,3-10H2,1-2H3,(H,17,20)
InChIKeyZKPHTTHCJXXVJK-UHFFFAOYSA-N
MW313.47 g/mol
LogP0.84
Rot. Bonds4

About 2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide

2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide (PubChem CID 66422049) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide
PubChem CID66422049
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)CC2CSCCN2)CC1
InChIInChI=1S/C15H27N3O2S/c1-11(2)15(20)17-12-3-6-18(7-4-12)14(19)9-13-10-21-8-5-16-13/h11-13,16H,3-10H2,1-2H3,(H,17,20)
InChIKeyZKPHTTHCJXXVJK-UHFFFAOYSA-N
XLogP0.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]acetamide
CID 66422654
2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride
CID 119734420
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
1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420113
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
1-(4-acetyl-1,4-diazepan-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934846
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
CID 119936782
N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide
CID 66420072
1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420291
1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422101

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide (CID 66422049) is 2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide is CC(C)C(=O)NC1CCN(C(=O)CC2CSCCN2)CC1.
What is the InChIKey of 2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide?
The InChIKey is ZKPHTTHCJXXVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-11(2)15(20)17-12-3-6-18(7-4-12)14(19)9-13-10-21-8-5-16-13/h11-13,16H,3-10H2,1-2H3,(H,17,20).
What are the key properties of 2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide?
2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide has a molecular weight of 313.47 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 66422049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).