2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride

C14H21ClN2O2S — CID 119428950

IUPAC2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride
SMILESCOc1ccc(SCC(=O)NC2CCCNC2)cc1.Cl
InChIInChI=1S/C14H20N2O2S.ClH/c1-18-12-4-6-13(7-5-12)19-10-14(17)16-11-3-2-8-15-9-11;/h4-7,11,15H,2-3,8-10H2,1H3,(H,16,17);1H
InChIKeyBYJKOXVXUOKZPM-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.08
Rot. Bonds5

About 2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride

2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride (PubChem CID 119428950) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride
PubChem CID119428950
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride
SMILESCOc1ccc(SCC(=O)NC2CCCNC2)cc1.Cl
InChIInChI=1S/C14H20N2O2S.ClH/c1-18-12-4-6-13(7-5-12)19-10-14(17)16-11-3-2-8-15-9-11;/h4-7,11,15H,2-3,8-10H2,1H3,(H,16,17);1H
InChIKeyBYJKOXVXUOKZPM-UHFFFAOYSA-N
XLogP2.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119424304
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide
CID 119427074
3-(4-methoxyphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424848
2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453540
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride
CID 119426453
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 119459341
N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 17472289
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide
CID 119426454
2-(4-methoxyphenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514483
3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119425554
3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride
CID 119427977

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride (CID 119428950) is 2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride is COc1ccc(SCC(=O)NC2CCCNC2)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride?
The InChIKey is BYJKOXVXUOKZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S.ClH/c1-18-12-4-6-13(7-5-12)19-10-14(17)16-11-3-2-8-15-9-11;/h4-7,11,15H,2-3,8-10H2,1H3,(H,16,17);1H.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride?
2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride has a molecular weight of 316.85 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119428950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).