N-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-ylsulfanylacetamide

C19H24N2OS — CID 5201760

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-ylsulfanylacetamide
SMILESCN1CCC(N(C)C(=O)CSc2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H24N2OS/c1-20-11-9-17(10-12-20)21(2)19(22)14-23-18-8-7-15-5-3-4-6-16(15)13-18/h3-8,13,17H,9-12,14H2,1-2H3
InChIKeyKWUVLKFDXJDBOO-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.48
Rot. Bonds4

About N-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-ylsulfanylacetamide

N-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 5201760) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-ylsulfanylacetamide
PubChem CID5201760
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-ylsulfanylacetamide
SMILESCN1CCC(N(C)C(=O)CSc2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H24N2OS/c1-20-11-9-17(10-12-20)21(2)19(22)14-23-18-8-7-15-5-3-4-6-16(15)13-18/h3-8,13,17H,9-12,14H2,1-2H3
InChIKeyKWUVLKFDXJDBOO-UHFFFAOYSA-N
XLogP3.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-ylsulfanylacetamide (CID 5201760) is N-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-ylsulfanylacetamide is CN1CCC(N(C)C(=O)CSc2ccc3ccccc3c2)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is KWUVLKFDXJDBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-20-11-9-17(10-12-20)21(2)19(22)14-23-18-8-7-15-5-3-4-6-16(15)13-18/h3-8,13,17H,9-12,14H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-ylsulfanylacetamide?
N-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 328.48 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 5201760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).