N-(1-ethylpiperidin-1-ium-4-yl)-2-naphthalen-2-ylsulfanylacetamide

C19H25N2OS+ — CID 9091102

IUPACN-(1-ethylpiperidin-1-ium-4-yl)-2-naphthalen-2-ylsulfanylacetamide
SMILESCC[NH+]1CCC(NC(=O)CSc2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H24N2OS/c1-2-21-11-9-17(10-12-21)20-19(22)14-23-18-8-7-15-5-3-4-6-16(15)13-18/h3-8,13,17H,2,9-12,14H2,1H3,(H,20,22)/p+1
InChIKeyQTUCQVIHLHRDHQ-UHFFFAOYSA-O
MW329.49 g/mol
LogP2.12
Rot. Bonds5

About N-(1-ethylpiperidin-1-ium-4-yl)-2-naphthalen-2-ylsulfanylacetamide

N-(1-ethylpiperidin-1-ium-4-yl)-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 9091102) has the molecular formula C19H25N2OS+ and a molecular weight of 329.49 g/mol. Its IUPAC name is N-(1-ethylpiperidin-1-ium-4-yl)-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-1-ium-4-yl)-2-naphthalen-2-ylsulfanylacetamide
PubChem CID9091102
Molecular FormulaC19H25N2OS+
Molecular Weight329.49 g/mol
Exact Mass329.17
IUPAC NameN-(1-ethylpiperidin-1-ium-4-yl)-2-naphthalen-2-ylsulfanylacetamide
SMILESCC[NH+]1CCC(NC(=O)CSc2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H24N2OS/c1-2-21-11-9-17(10-12-21)20-19(22)14-23-18-8-7-15-5-3-4-6-16(15)13-18/h3-8,13,17H,2,9-12,14H2,1H3,(H,20,22)/p+1
InChIKeyQTUCQVIHLHRDHQ-UHFFFAOYSA-O
XLogP2.12
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-ethylpiperidin-1-ium-4-yl)naphthalene-2-carboxamide
CID 9091090
N-(1-benzylpiperidin-1-ium-4-yl)-2-phenylsulfanylacetamide
CID 7354720
N-(cyclohexylcarbamoyl)-2-naphthalen-2-ylsulfanylacetamide
CID 17431041
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-naphthalen-2-ylsulfanylacetamide
CID 30803635
[2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 16525634
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 17472289
1-naphthalen-2-ylsulfanylpentan-2-one
CID 62042537
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
N-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8684683
N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665950
N-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide
CID 64664243

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-1-ium-4-yl)-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-(1-ethylpiperidin-1-ium-4-yl)-2-naphthalen-2-ylsulfanylacetamide (CID 9091102) is N-(1-ethylpiperidin-1-ium-4-yl)-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1-ethylpiperidin-1-ium-4-yl)-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-(1-ethylpiperidin-1-ium-4-yl)-2-naphthalen-2-ylsulfanylacetamide is CC[NH+]1CCC(NC(=O)CSc2ccc3ccccc3c2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-1-ium-4-yl)-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is QTUCQVIHLHRDHQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2OS/c1-2-21-11-9-17(10-12-21)20-19(22)14-23-18-8-7-15-5-3-4-6-16(15)13-18/h3-8,13,17H,2,9-12,14H2,1H3,(H,20,22)/p+1.
What are the key properties of N-(1-ethylpiperidin-1-ium-4-yl)-2-naphthalen-2-ylsulfanylacetamide?
N-(1-ethylpiperidin-1-ium-4-yl)-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 329.49 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-1-ium-4-yl)-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 9091102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).