N-(2-methylpiperidin-3-yl)-2-phenyl-2-phenylsulfanylacetamide;hydrochloride

C20H25ClN2OS — CID 120577920

IUPACN-(2-methylpiperidin-3-yl)-2-phenyl-2-phenylsulfanylacetamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C(Sc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H24N2OS.ClH/c1-15-18(13-8-14-21-15)22-20(23)19(16-9-4-2-5-10-16)24-17-11-6-3-7-12-17;/h2-7,9-12,15,18-19,21H,8,13-14H2,1H3,(H,22,23);1H
InChIKeyNAMAETLSWLMPLI-UHFFFAOYSA-N
MW376.95 g/mol
LogP4.20
Rot. Bonds5

About N-(2-methylpiperidin-3-yl)-2-phenyl-2-phenylsulfanylacetamide;hydrochloride

N-(2-methylpiperidin-3-yl)-2-phenyl-2-phenylsulfanylacetamide;hydrochloride (PubChem CID 120577920) has the molecular formula C20H25ClN2OS and a molecular weight of 376.95 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-phenyl-2-phenylsulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-phenyl-2-phenylsulfanylacetamide;hydrochloride
PubChem CID120577920
Molecular FormulaC20H25ClN2OS
Molecular Weight376.95 g/mol
Exact Mass376.14
IUPAC NameN-(2-methylpiperidin-3-yl)-2-phenyl-2-phenylsulfanylacetamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C(Sc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H24N2OS.ClH/c1-15-18(13-8-14-21-15)22-20(23)19(16-9-4-2-5-10-16)24-17-11-6-3-7-12-17;/h2-7,9-12,15,18-19,21H,8,13-14H2,1H3,(H,22,23);1H
InChIKeyNAMAETLSWLMPLI-UHFFFAOYSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.95
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-(2-methylpiperidin-3-yl)-2-phenylacetamide
CID 120573497
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
N-(2-methylpiperidin-3-yl)-2-(4-nitrophenyl)sulfanylpropanamide;hydrochloride
CID 120576059
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573776
2-(3-chlorophenyl)-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120576369
N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 78810005
N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide
CID 119474355
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120573777
4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120576912
3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120573590
(2S)-2-(4-tert-butylphenyl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 9042642

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-phenyl-2-phenylsulfanylacetamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-phenyl-2-phenylsulfanylacetamide;hydrochloride (CID 120577920) is N-(2-methylpiperidin-3-yl)-2-phenyl-2-phenylsulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-phenyl-2-phenylsulfanylacetamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-phenyl-2-phenylsulfanylacetamide;hydrochloride is CC1NCCCC1NC(=O)C(Sc1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-phenyl-2-phenylsulfanylacetamide;hydrochloride?
The InChIKey is NAMAETLSWLMPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS.ClH/c1-15-18(13-8-14-21-15)22-20(23)19(16-9-4-2-5-10-16)24-17-11-6-3-7-12-17;/h2-7,9-12,15,18-19,21H,8,13-14H2,1H3,(H,22,23);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-2-phenyl-2-phenylsulfanylacetamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-2-phenyl-2-phenylsulfanylacetamide;hydrochloride has a molecular weight of 376.95 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2-phenyl-2-phenylsulfanylacetamide;hydrochloride is sourced from PubChem (CID 120577920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).