N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylsulfanylpropanamide

C15H24N4OS — CID 51082330

IUPACN-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)NCc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C15H24N4OS/c1-12(21-3)15(20)17-11-13-4-5-16-14(10-13)19-8-6-18(2)7-9-19/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,20)
InChIKeyLZWPPGVDSANFDP-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.20
Rot. Bonds5

About N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylsulfanylpropanamide

N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylsulfanylpropanamide (PubChem CID 51082330) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylsulfanylpropanamide
PubChem CID51082330
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)NCc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C15H24N4OS/c1-12(21-3)15(20)17-11-13-4-5-16-14(10-13)19-8-6-18(2)7-9-19/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,20)
InChIKeyLZWPPGVDSANFDP-UHFFFAOYSA-N
XLogP1.20
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylsulfanylpropanamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylsulfanylpropanamide (CID 51082330) is N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylsulfanylpropanamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylsulfanylpropanamide is CSC(C)C(=O)NCc1ccnc(N2CCN(C)CC2)c1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylsulfanylpropanamide?
The InChIKey is LZWPPGVDSANFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-12(21-3)15(20)17-11-13-4-5-16-14(10-13)19-8-6-18(2)7-9-19/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,20).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylsulfanylpropanamide?
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylsulfanylpropanamide has a molecular weight of 308.45 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 51082330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).