N-[(4-methylmorpholin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide

C13H25N3O2S — CID 114627762

IUPACN-[(4-methylmorpholin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCN1CCOC(CNC(=O)CSC2CCNCC2)C1
InChIInChI=1S/C13H25N3O2S/c1-16-6-7-18-11(9-16)8-15-13(17)10-19-12-2-4-14-5-3-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyLQXVWLRTYGLRHR-UHFFFAOYSA-N
MW287.43 g/mol
LogP-0.08
Rot. Bonds5

About N-[(4-methylmorpholin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide

N-[(4-methylmorpholin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627762) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627762
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCN1CCOC(CNC(=O)CSC2CCNCC2)C1
InChIInChI=1S/C13H25N3O2S/c1-16-6-7-18-11(9-16)8-15-13(17)10-19-12-2-4-14-5-3-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyLQXVWLRTYGLRHR-UHFFFAOYSA-N
XLogP-0.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627369
2-(azetidin-3-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 79083364
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627592
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 49094753
3-(cyclopropylamino)-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 79082583
2-amino-N-[2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoethyl]acetamide
CID 79082878
4,4-dichloro-N-[(4-methylmorpholin-2-yl)methyl]but-3-enamide
CID 167947409
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 79083173

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide (CID 114627762) is N-[(4-methylmorpholin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide is CN1CCOC(CNC(=O)CSC2CCNCC2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is LQXVWLRTYGLRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-16-6-7-18-11(9-16)8-15-13(17)10-19-12-2-4-14-5-3-12/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
N-[(4-methylmorpholin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 287.43 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).