N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]thiohydroxylamine

C12H19N3S — CID 178047682

IUPACN-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]thiohydroxylamine
SMILESCc1ccc(N2CCN(C)CC2)cc1NS
InChIInChI=1S/C12H19N3S/c1-10-3-4-11(9-12(10)13-16)15-7-5-14(2)6-8-15/h3-4,9,13,16H,5-8H2,1-2H3
InChIKeyQXJUOUZAJRSKMP-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.00
Rot. Bonds2

About N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]thiohydroxylamine

N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]thiohydroxylamine (PubChem CID 178047682) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]thiohydroxylamine
PubChem CID178047682
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]thiohydroxylamine
SMILESCc1ccc(N2CCN(C)CC2)cc1NS
InChIInChI=1S/C12H19N3S/c1-10-3-4-11(9-12(10)13-16)15-7-5-14(2)6-8-15/h3-4,9,13,16H,5-8H2,1-2H3
InChIKeyQXJUOUZAJRSKMP-UHFFFAOYSA-N
XLogP2.00
TPSA18.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783
1-(3-ethyl-4-methylphenyl)-4-methylpiperazine
CID 142939329
[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 155227664
[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]thiourea
CID 169357403
11,12-dimethyl-3,6-bis(4-methylpiperazin-1-yl)phenanthro[9,10-b]quinoxaline
CID 166633996
4-(4-methylpiperazin-1-yl)benzene-1,2-diol
CID 84676102
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
2-methoxy-N-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 63058721
2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559242
2-(4-chlorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 17484787
2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one
CID 57403295
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]thiohydroxylamine?
The IUPAC name of N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]thiohydroxylamine (CID 178047682) is N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]thiohydroxylamine.
What is the SMILES notation for N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]thiohydroxylamine?
The canonical SMILES for N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]thiohydroxylamine is Cc1ccc(N2CCN(C)CC2)cc1NS.
What is the InChIKey of N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]thiohydroxylamine?
The InChIKey is QXJUOUZAJRSKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-10-3-4-11(9-12(10)13-16)15-7-5-14(2)6-8-15/h3-4,9,13,16H,5-8H2,1-2H3.
What are the key properties of N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]thiohydroxylamine?
N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]thiohydroxylamine has a molecular weight of 237.37 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]thiohydroxylamine is sourced from PubChem (CID 178047682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).