N'-hydroxy-2-methylsulfanyl-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide

C15H24N4OS — CID 114538150

IUPACN'-hydroxy-2-methylsulfanyl-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide
SMILESCSc1cccc(N2CC(C)N(C)C(C)C2)c1/C(N)=N/O
InChIInChI=1S/C15H24N4OS/c1-10-8-19(9-11(2)18(10)3)12-6-5-7-13(21-4)14(12)15(16)17-20/h5-7,10-11,20H,8-9H2,1-4H3,(H2,16,17)
InChIKeyRDLPQQWFVYTXMW-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.03
Rot. Bonds3

About N'-hydroxy-2-methylsulfanyl-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide

N'-hydroxy-2-methylsulfanyl-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide (PubChem CID 114538150) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N'-hydroxy-2-methylsulfanyl-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methylsulfanyl-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide
PubChem CID114538150
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN'-hydroxy-2-methylsulfanyl-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide
SMILESCSc1cccc(N2CC(C)N(C)C(C)C2)c1/C(N)=N/O
InChIInChI=1S/C15H24N4OS/c1-10-8-19(9-11(2)18(10)3)12-6-5-7-13(21-4)14(12)15(16)17-20/h5-7,10-11,20H,8-9H2,1-4H3,(H2,16,17)
InChIKeyRDLPQQWFVYTXMW-UHFFFAOYSA-N
XLogP2.03
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide
CID 102958261
2-fluoro-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarbothioamide
CID 114536984
2-bromo-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarbothioamide
CID 114882760
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 81465371
2-(2,5-dimethylpiperidin-1-yl)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79520284
N'-hydroxy-2-(4-iodopyrazol-1-yl)-6-methylsulfanylbenzenecarboximidamide
CID 113385813
2-(3,4-dimethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 79189095
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylsulfanylbenzenecarbothioamide
CID 102932907
2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide
CID 114678809
N'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide
CID 113385916
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-bromo-N'-hydroxybenzenecarboximidamide
CID 114883329
2-chloro-N'-hydroxy-6-(4-methylpiperazin-1-yl)benzenecarboximidamide
CID 76945351

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methylsulfanyl-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methylsulfanyl-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide (CID 114538150) is N'-hydroxy-2-methylsulfanyl-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methylsulfanyl-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methylsulfanyl-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide is CSc1cccc(N2CC(C)N(C)C(C)C2)c1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methylsulfanyl-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide?
The InChIKey is RDLPQQWFVYTXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-10-8-19(9-11(2)18(10)3)12-6-5-7-13(21-4)14(12)15(16)17-20/h5-7,10-11,20H,8-9H2,1-4H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-methylsulfanyl-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide?
N'-hydroxy-2-methylsulfanyl-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide has a molecular weight of 308.45 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methylsulfanyl-6-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 114538150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).