N-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide

C12H22N2OS — CID 114628092

IUPACN-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide
SMILESC=C(C)CN(C)C(=O)CSC1CCNCC1
InChIInChI=1S/C12H22N2OS/c1-10(2)8-14(3)12(15)9-16-11-4-6-13-7-5-11/h11,13H,1,4-9H2,2-3H3
InChIKeyDZSLEEJXVPOGOV-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.51
Rot. Bonds5

About N-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide

N-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114628092) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114628092
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide
SMILESC=C(C)CN(C)C(=O)CSC1CCNCC1
InChIInChI=1S/C12H22N2OS/c1-10(2)8-14(3)12(15)9-16-11-4-6-13-7-5-11/h11,13H,1,4-9H2,2-3H3
InChIKeyDZSLEEJXVPOGOV-UHFFFAOYSA-N
XLogP1.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.51
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-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide
CID 114627920
2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide
CID 114626915
1-piperidin-4-ylsulfanylpropan-2-one
CID 19936634
N-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627017
2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide
CID 114626630
N-methyl-2-piperidin-4-ylsulfanyl-N-pyridin-2-ylacetamide
CID 114626507
2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid
CID 114627152
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide
CID 114627957
N-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide
CID 114626653
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114627353
N-[2-(diethylamino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 54872869

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide (CID 114628092) is N-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide is C=C(C)CN(C)C(=O)CSC1CCNCC1.
What is the InChIKey of N-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is DZSLEEJXVPOGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-10(2)8-14(3)12(15)9-16-11-4-6-13-7-5-11/h11,13H,1,4-9H2,2-3H3.
What are the key properties of N-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide?
N-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 242.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114628092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).