N-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide

C11H20N2OS — CID 114627920

IUPACN-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide
SMILESC=CCN(C)C(=O)CSC1CCNCC1
InChIInChI=1S/C11H20N2OS/c1-3-8-13(2)11(14)9-15-10-4-6-12-7-5-10/h3,10,12H,1,4-9H2,2H3
InChIKeyOBUAOHPLCKBYQS-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.12
Rot. Bonds5

About N-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide

N-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide (PubChem CID 114627920) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide
PubChem CID114627920
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide
SMILESC=CCN(C)C(=O)CSC1CCNCC1
InChIInChI=1S/C11H20N2OS/c1-3-8-13(2)11(14)9-15-10-4-6-12-7-5-10/h3,10,12H,1,4-9H2,2H3
InChIKeyOBUAOHPLCKBYQS-UHFFFAOYSA-N
XLogP1.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628092
2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide
CID 114626915
N-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627017
1-piperidin-4-ylsulfanylpropan-2-one
CID 19936634
N-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide
CID 114628059
2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide
CID 114626630
N-methyl-2-piperidin-4-ylsulfanyl-N-pyridin-2-ylacetamide
CID 114626507
N,N'-dimethyl-N,N'-bis(prop-2-enyl)oxamide
CID 71483404
2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid
CID 114627152
N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide
CID 114627957
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114627353
N-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide
CID 114626653

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide?
The IUPAC name of N-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide (CID 114627920) is N-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide.
What is the SMILES notation for N-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide?
The canonical SMILES for N-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide is C=CCN(C)C(=O)CSC1CCNCC1.
What is the InChIKey of N-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide?
The InChIKey is OBUAOHPLCKBYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-3-8-13(2)11(14)9-15-10-4-6-12-7-5-10/h3,10,12H,1,4-9H2,2H3.
What are the key properties of N-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide?
N-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide has a molecular weight of 228.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide is sourced from PubChem (CID 114627920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).