N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanylacetamide

C15H23N3OS — CID 35892764

IUPACN-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(N2CCN(C)CC2)cc1C
InChIInChI=1S/C15H23N3OS/c1-12-10-13(18-8-6-17(2)7-9-18)4-5-14(12)16-15(19)11-20-3/h4-5,10H,6-9,11H2,1-3H3,(H,16,19)
InChIKeyXJGYHCLMPYIYOA-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.05
Rot. Bonds4

About N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanylacetamide

N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanylacetamide (PubChem CID 35892764) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanylacetamide
PubChem CID35892764
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(N2CCN(C)CC2)cc1C
InChIInChI=1S/C15H23N3OS/c1-12-10-13(18-8-6-17(2)7-9-18)4-5-14(12)16-15(19)11-20-3/h4-5,10H,6-9,11H2,1-3H3,(H,16,19)
InChIKeyXJGYHCLMPYIYOA-UHFFFAOYSA-N
XLogP2.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanylacetamide (CID 35892764) is N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanylacetamide is CSCC(=O)Nc1ccc(N2CCN(C)CC2)cc1C.
What is the InChIKey of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanylacetamide?
The InChIKey is XJGYHCLMPYIYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-12-10-13(18-8-6-17(2)7-9-18)4-5-14(12)16-15(19)11-20-3/h4-5,10H,6-9,11H2,1-3H3,(H,16,19).
What are the key properties of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanylacetamide?
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanylacetamide has a molecular weight of 293.44 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 35892764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).