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

C11H22N2OS — CID 76948535

IUPACN'-hydroxy-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanimidamide
SMILESCC1CCCC(SCC(C)C(N)=NO)C1
InChIInChI=1S/C11H22N2OS/c1-8-4-3-5-10(6-8)15-7-9(2)11(12)13-14/h8-10,14H,3-7H2,1-2H3,(H2,12,13)
InChIKeyLSFOMGMLGICJBF-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.68
Rot. Bonds4

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

N'-hydroxy-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanimidamide (PubChem CID 76948535) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanimidamide
PubChem CID76948535
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN'-hydroxy-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanimidamide
SMILESCC1CCCC(SCC(C)C(N)=NO)C1
InChIInChI=1S/C11H22N2OS/c1-8-4-3-5-10(6-8)15-7-9(2)11(12)13-14/h8-10,14H,3-7H2,1-2H3,(H2,12,13)
InChIKeyLSFOMGMLGICJBF-UHFFFAOYSA-N
XLogP2.68
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.68
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

N'-hydroxy-3-(3-methylcyclohexyl)sulfanylpropanimidamide
CID 76948517
3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol
CID 79683415
methyl 2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanoate
CID 62722999
2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile
CID 62722458
N'-hydroxy-2-[2-(3-methylcyclohexyl)ethylamino]butanimidamide
CID 77028515
3-(3-methylcyclohexyl)sulfanylpropanamide
CID 62721555
1-[2-(bromomethyl)-3,3-dimethylbutyl]sulfanyl-3-methylcyclohexane
CID 65016282
N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine
CID 64632799
1-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfanylethanol
CID 55111272
3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide
CID 43369057
2-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxybutanimidamide
CID 77029726
4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide
CID 63035288

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanimidamide (CID 76948535) is N'-hydroxy-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanimidamide is CC1CCCC(SCC(C)C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanimidamide?
The InChIKey is LSFOMGMLGICJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-8-4-3-5-10(6-8)15-7-9(2)11(12)13-14/h8-10,14H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanimidamide?
N'-hydroxy-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanimidamide has a molecular weight of 230.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanimidamide is sourced from PubChem (CID 76948535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).