N'-hydroxy-3-methyl-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide

C15H22N2OS — CID 107110933

IUPACN'-hydroxy-3-methyl-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1SC1CCCC(C)C1
InChIInChI=1S/C15H22N2OS/c1-10-5-3-7-12(9-10)19-14-11(2)6-4-8-13(14)15(16)17-18/h4,6,8,10,12,18H,3,5,7,9H2,1-2H3,(H2,16,17)
InChIKeyMQNKPIZGYVYUHM-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.76
Rot. Bonds3

About N'-hydroxy-3-methyl-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide

N'-hydroxy-3-methyl-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide (PubChem CID 107110933) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide
PubChem CID107110933
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN'-hydroxy-3-methyl-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1SC1CCCC(C)C1
InChIInChI=1S/C15H22N2OS/c1-10-5-3-7-12(9-10)19-14-11(2)6-4-8-13(14)15(16)17-18/h4,6,8,10,12,18H,3,5,7,9H2,1-2H3,(H2,16,17)
InChIKeyMQNKPIZGYVYUHM-UHFFFAOYSA-N
XLogP3.76
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-methyl-2-(3-methylcyclohexyl)sulfanylaniline
CID 115551281
4-chloro-N'-hydroxy-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide
CID 55180427
2-fluoro-N'-hydroxy-3-[(3-methylcyclohexyl)sulfanylmethyl]benzenecarboximidamide
CID 107118398
2-methyl-6-(3-methylcyclohexyl)sulfanylaniline
CID 79147333
N'-hydroxy-2-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 76904281
N'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide
CID 107110903
2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109104
2-butylsulfanyl-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107110916
2-(3-methylcyclohexyl)sulfanylbenzoic acid
CID 62721517
1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanone
CID 62721722
1-[3-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]ethanol
CID 114059535
2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109406

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methyl-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide (CID 107110933) is N'-hydroxy-3-methyl-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methyl-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide is Cc1cccc(/C(N)=N/O)c1SC1CCCC(C)C1.
What is the InChIKey of N'-hydroxy-3-methyl-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide?
The InChIKey is MQNKPIZGYVYUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10-5-3-7-12(9-10)19-14-11(2)6-4-8-13(14)15(16)17-18/h4,6,8,10,12,18H,3,5,7,9H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-methyl-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide?
N'-hydroxy-3-methyl-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide has a molecular weight of 278.42 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 107110933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).