N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide

C16H23N3OS — CID 63626474

IUPACN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC2CCN(CC(N)=S)CC2)c1
InChIInChI=1S/C16H23N3OS/c1-12-3-2-4-13(9-12)10-16(20)18-14-5-7-19(8-6-14)11-15(17)21/h2-4,9,14H,5-8,10-11H2,1H3,(H2,17,21)(H,18,20)
InChIKeyGEFNQLFENDRDMI-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.40
Rot. Bonds5

About N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide

N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide (PubChem CID 63626474) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
PubChem CID63626474
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NC2CCN(CC(N)=S)CC2)c1
InChIInChI=1S/C16H23N3OS/c1-12-3-2-4-13(9-12)10-16(20)18-14-5-7-19(8-6-14)11-15(17)21/h2-4,9,14H,5-8,10-11H2,1H3,(H2,17,21)(H,18,20)
InChIKeyGEFNQLFENDRDMI-UHFFFAOYSA-N
XLogP1.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide
CID 134047639
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 63626827
methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821768
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2,5-dimethylbenzamide
CID 63626996
N-(4-aminocyclohexyl)-2-(3-methylphenyl)acetamide
CID 62387693
N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30728730
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 110712574
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 110822276
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide
CID 63626471

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide (CID 63626474) is N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NC2CCN(CC(N)=S)CC2)c1.
What is the InChIKey of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide?
The InChIKey is GEFNQLFENDRDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-12-3-2-4-13(9-12)10-16(20)18-14-5-7-19(8-6-14)11-15(17)21/h2-4,9,14H,5-8,10-11H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide?
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide has a molecular weight of 305.45 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 63626474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).