[amino(propylsulfanyl)phosphoryl] N-(4-fluorophenyl)carbamate

C10H14FN2O3PS — CID 70584196

IUPAC[amino(propylsulfanyl)phosphoryl] N-(4-fluorophenyl)carbamate
SMILESCCCSP(N)(=O)OC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H14FN2O3PS/c1-2-7-18-17(12,15)16-10(14)13-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyLBXSFCNLDURRRY-UHFFFAOYSA-N
MW292.27 g/mol
LogP3.58
Rot. Bonds5

About [amino(propylsulfanyl)phosphoryl] N-(4-fluorophenyl)carbamate

[amino(propylsulfanyl)phosphoryl] N-(4-fluorophenyl)carbamate (PubChem CID 70584196) has the molecular formula C10H14FN2O3PS and a molecular weight of 292.27 g/mol. Its IUPAC name is [amino(propylsulfanyl)phosphoryl] N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name[amino(propylsulfanyl)phosphoryl] N-(4-fluorophenyl)carbamate
PubChem CID70584196
Molecular FormulaC10H14FN2O3PS
Molecular Weight292.27 g/mol
Exact Mass292.04
IUPAC Name[amino(propylsulfanyl)phosphoryl] N-(4-fluorophenyl)carbamate
SMILESCCCSP(N)(=O)OC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H14FN2O3PS/c1-2-7-18-17(12,15)16-10(14)13-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyLBXSFCNLDURRRY-UHFFFAOYSA-N
XLogP3.58
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[4-[2-(4-fluorophenyl)ethynyl]phenyl]carbamate
CID 102582273
ethyl N-[4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9038153
[(2R)-2-methylsulfanylpropyl] N-(4-fluorophenyl)carbamate
CID 137477163
ethyl 3-(4-fluoroanilino)-2-methyl-3-oxopropanoate
CID 67507786
[(E)-1-chlorobutylideneamino] N-(4-fluorophenyl)carbamate
CID 5466258
ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate
CID 26692275
ethyl-[4-[(4-fluorophenyl)carbamoyloxy]but-2-ynyl]-dimethylazanium
CID 10356198
N'-(4-fluorophenyl)propanediamide
CID 18174009
2-(propan-2-ylamino)ethyl N-(4-fluorophenyl)carbamate
CID 79338343
1-diethoxyphosphoryl-N-(4-fluorophenyl)methanethioamide
CID 138971382
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
[ethoxy-(2-methylsulfanylethylimino)-propylsulfanyl-λ5-phosphanyl] N-phenylcarbamate
CID 70634547

Frequently Asked Questions

What is the IUPAC name of [amino(propylsulfanyl)phosphoryl] N-(4-fluorophenyl)carbamate?
The IUPAC name of [amino(propylsulfanyl)phosphoryl] N-(4-fluorophenyl)carbamate (CID 70584196) is [amino(propylsulfanyl)phosphoryl] N-(4-fluorophenyl)carbamate.
What is the SMILES notation for [amino(propylsulfanyl)phosphoryl] N-(4-fluorophenyl)carbamate?
The canonical SMILES for [amino(propylsulfanyl)phosphoryl] N-(4-fluorophenyl)carbamate is CCCSP(N)(=O)OC(=O)Nc1ccc(F)cc1.
What is the InChIKey of [amino(propylsulfanyl)phosphoryl] N-(4-fluorophenyl)carbamate?
The InChIKey is LBXSFCNLDURRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN2O3PS/c1-2-7-18-17(12,15)16-10(14)13-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of [amino(propylsulfanyl)phosphoryl] N-(4-fluorophenyl)carbamate?
[amino(propylsulfanyl)phosphoryl] N-(4-fluorophenyl)carbamate has a molecular weight of 292.27 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(propylsulfanyl)phosphoryl] N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 70584196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).