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

C10H20N2OS — CID 76948517

IUPACN'-hydroxy-3-(3-methylcyclohexyl)sulfanylpropanimidamide
SMILESCC1CCCC(SCCC(N)=NO)C1
InChIInChI=1S/C10H20N2OS/c1-8-3-2-4-9(7-8)14-6-5-10(11)12-13/h8-9,13H,2-7H2,1H3,(H2,11,12)
InChIKeySEXSACUVNLFSBJ-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.43
Rot. Bonds4

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

N'-hydroxy-3-(3-methylcyclohexyl)sulfanylpropanimidamide (PubChem CID 76948517) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N'-hydroxy-3-(3-methylcyclohexyl)sulfanylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-methylcyclohexyl)sulfanylpropanimidamide
PubChem CID76948517
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN'-hydroxy-3-(3-methylcyclohexyl)sulfanylpropanimidamide
SMILESCC1CCCC(SCCC(N)=NO)C1
InChIInChI=1S/C10H20N2OS/c1-8-3-2-4-9(7-8)14-6-5-10(11)12-13/h8-9,13H,2-7H2,1H3,(H2,11,12)
InChIKeySEXSACUVNLFSBJ-UHFFFAOYSA-N
XLogP2.43
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.43
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-cyclopentylsulfanyl-N'-hydroxypropanimidamide
CID 76982856
3-(3-methylcyclohexyl)sulfanylpropanamide
CID 62721555
N'-hydroxy-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanimidamide
CID 76948535
5-(3-methylcyclohexyl)sulfanylpentan-1-amine
CID 62721729
N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine
CID 62720477
2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide
CID 62720840
N'-hydroxy-3-[2-methoxyethyl-(3-methylcyclohexyl)amino]propanimidamide
CID 77023065
N'-hydroxy-3-[(3-methylcyclohexyl)-(2-methylpropyl)amino]propanimidamide
CID 77023051
4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide
CID 63035288
1-[(E)-3-chloroprop-2-enyl]sulfanyl-3-methylcyclohexane
CID 131233090
2-fluoro-N'-hydroxy-3-[(3-methylcyclohexyl)sulfanylmethyl]benzenecarboximidamide
CID 107118398
N-[2-(3-methylcyclohexyl)sulfanylethyl]prop-2-en-1-amine
CID 62720497

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-methylcyclohexyl)sulfanylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(3-methylcyclohexyl)sulfanylpropanimidamide (CID 76948517) is N'-hydroxy-3-(3-methylcyclohexyl)sulfanylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-methylcyclohexyl)sulfanylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-methylcyclohexyl)sulfanylpropanimidamide is CC1CCCC(SCCC(N)=NO)C1.
What is the InChIKey of N'-hydroxy-3-(3-methylcyclohexyl)sulfanylpropanimidamide?
The InChIKey is SEXSACUVNLFSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8-3-2-4-9(7-8)14-6-5-10(11)12-13/h8-9,13H,2-7H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-(3-methylcyclohexyl)sulfanylpropanimidamide?
N'-hydroxy-3-(3-methylcyclohexyl)sulfanylpropanimidamide has a molecular weight of 216.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-methylcyclohexyl)sulfanylpropanimidamide is sourced from PubChem (CID 76948517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).