N'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide

C10H23N2OPS2 — CID 88792107

IUPACN'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide
SMILESCCCOP(=S)(N/C=N/C(C)C)SCCC
InChIInChI=1S/C10H23N2OPS2/c1-5-7-13-14(15,16-8-6-2)12-9-11-10(3)4/h9-10H,5-8H2,1-4H3,(H,11,12,15)
InChIKeyOPQIKVAGQDYFSN-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.81
Rot. Bonds9

About N'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide

N'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide (PubChem CID 88792107) has the molecular formula C10H23N2OPS2 and a molecular weight of 282.41 g/mol. Its IUPAC name is N'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide.

Molecular Properties

Compound NameN'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide
PubChem CID88792107
Molecular FormulaC10H23N2OPS2
Molecular Weight282.41 g/mol
Exact Mass282.10
IUPAC NameN'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide
SMILESCCCOP(=S)(N/C=N/C(C)C)SCCC
InChIInChI=1S/C10H23N2OPS2/c1-5-7-13-14(15,16-8-6-2)12-9-11-10(3)4/h9-10H,5-8H2,1-4H3,(H,11,12,15)
InChIKeyOPQIKVAGQDYFSN-UHFFFAOYSA-N
XLogP3.81
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.81
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'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide?
The IUPAC name of N'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide (CID 88792107) is N'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide.
What is the SMILES notation for N'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide?
The canonical SMILES for N'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide is CCCOP(=S)(N/C=N/C(C)C)SCCC.
What is the InChIKey of N'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide?
The InChIKey is OPQIKVAGQDYFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2OPS2/c1-5-7-13-14(15,16-8-6-2)12-9-11-10(3)4/h9-10H,5-8H2,1-4H3,(H,11,12,15).
What are the key properties of N'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide?
N'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide has a molecular weight of 282.41 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-[propoxy(propylsulfanyl)phosphinothioyl]methanimidamide is sourced from PubChem (CID 88792107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).