N'-cyclohexyl-N-[ethoxy(methylsulfanyl)phosphinothioyl]methanimidamide

C10H21N2OPS2 — CID 54130221

IUPACN'-cyclohexyl-N-[ethoxy(methylsulfanyl)phosphinothioyl]methanimidamide
SMILESCCOP(=S)(N/C=N/C1CCCCC1)SC
InChIInChI=1S/C10H21N2OPS2/c1-3-13-14(15,16-2)12-9-11-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,11,12,15)
InChIKeyNTUYOKHGMUIQDE-UHFFFAOYSA-N
MW280.40 g/mol
LogP3.56
Rot. Bonds6

About N'-cyclohexyl-N-[ethoxy(methylsulfanyl)phosphinothioyl]methanimidamide

N'-cyclohexyl-N-[ethoxy(methylsulfanyl)phosphinothioyl]methanimidamide (PubChem CID 54130221) has the molecular formula C10H21N2OPS2 and a molecular weight of 280.40 g/mol. Its IUPAC name is N'-cyclohexyl-N-[ethoxy(methylsulfanyl)phosphinothioyl]methanimidamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[ethoxy(methylsulfanyl)phosphinothioyl]methanimidamide
PubChem CID54130221
Molecular FormulaC10H21N2OPS2
Molecular Weight280.40 g/mol
Exact Mass280.08
IUPAC NameN'-cyclohexyl-N-[ethoxy(methylsulfanyl)phosphinothioyl]methanimidamide
SMILESCCOP(=S)(N/C=N/C1CCCCC1)SC
InChIInChI=1S/C10H21N2OPS2/c1-3-13-14(15,16-2)12-9-11-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,11,12,15)
InChIKeyNTUYOKHGMUIQDE-UHFFFAOYSA-N
XLogP3.56
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[ethoxy(methylsulfanyl)phosphinothioyl]methanimidamide?
The IUPAC name of N'-cyclohexyl-N-[ethoxy(methylsulfanyl)phosphinothioyl]methanimidamide (CID 54130221) is N'-cyclohexyl-N-[ethoxy(methylsulfanyl)phosphinothioyl]methanimidamide.
What is the SMILES notation for N'-cyclohexyl-N-[ethoxy(methylsulfanyl)phosphinothioyl]methanimidamide?
The canonical SMILES for N'-cyclohexyl-N-[ethoxy(methylsulfanyl)phosphinothioyl]methanimidamide is CCOP(=S)(N/C=N/C1CCCCC1)SC.
What is the InChIKey of N'-cyclohexyl-N-[ethoxy(methylsulfanyl)phosphinothioyl]methanimidamide?
The InChIKey is NTUYOKHGMUIQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2OPS2/c1-3-13-14(15,16-2)12-9-11-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,11,12,15).
What are the key properties of N'-cyclohexyl-N-[ethoxy(methylsulfanyl)phosphinothioyl]methanimidamide?
N'-cyclohexyl-N-[ethoxy(methylsulfanyl)phosphinothioyl]methanimidamide has a molecular weight of 280.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[ethoxy(methylsulfanyl)phosphinothioyl]methanimidamide is sourced from PubChem (CID 54130221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).