N-bis(propylsulfanyl)phosphoryl-N-propylethanethioamide

C11H24NOPS3 — CID 88689026

IUPACN-bis(propylsulfanyl)phosphoryl-N-propylethanethioamide
SMILESCCCSP(=O)(SCCC)N(CCC)C(C)=S
InChIInChI=1S/C11H24NOPS3/c1-5-8-12(11(4)15)14(13,16-9-6-2)17-10-7-3/h5-10H2,1-4H3
InChIKeyTXSPVXWCJSYXGQ-UHFFFAOYSA-N
MW313.49 g/mol
LogP5.44
Rot. Bonds9

About N-bis(propylsulfanyl)phosphoryl-N-propylethanethioamide

N-bis(propylsulfanyl)phosphoryl-N-propylethanethioamide (PubChem CID 88689026) has the molecular formula C11H24NOPS3 and a molecular weight of 313.49 g/mol. Its IUPAC name is N-bis(propylsulfanyl)phosphoryl-N-propylethanethioamide.

Molecular Properties

Compound NameN-bis(propylsulfanyl)phosphoryl-N-propylethanethioamide
PubChem CID88689026
Molecular FormulaC11H24NOPS3
Molecular Weight313.49 g/mol
Exact Mass313.08
IUPAC NameN-bis(propylsulfanyl)phosphoryl-N-propylethanethioamide
SMILESCCCSP(=O)(SCCC)N(CCC)C(C)=S
InChIInChI=1S/C11H24NOPS3/c1-5-8-12(11(4)15)14(13,16-9-6-2)17-10-7-3/h5-10H2,1-4H3
InChIKeyTXSPVXWCJSYXGQ-UHFFFAOYSA-N
XLogP5.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.49
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[methylamino(propylsulfanyl)phosphoryl]butanethioamide
CID 20551334
N,N-dipropylethanethioamide
CID 19819320
N-ethyl-N-[ethylamino(propylsulfanyl)phosphoryl]tridecanethioamide
CID 20551325
1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane
CID 22226137
2-bis(propylsulfanyl)phosphoryl-2-methylpropane
CID 23413470
N-[[methoxymethyl(methyl)amino]-pentylsulfanylphosphoryl]-N-methylethanethioamide
CID 88722797
methyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane
CID 21116234
N-dimethylphosphoryl-N-propylpropan-1-amine
CID 154336648
tris(propylsulfanyl)-selanylidene-λ5-phosphane
CID 23412993
zinc;hydrogen phosphate;1-(propyldisulfanyl)propane
CID 174694576
1-[methyl(propylsulfanyl)phosphinothioyl]sulfanylethyl acetate
CID 23621539
diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 87195358

Frequently Asked Questions

What is the IUPAC name of N-bis(propylsulfanyl)phosphoryl-N-propylethanethioamide?
The IUPAC name of N-bis(propylsulfanyl)phosphoryl-N-propylethanethioamide (CID 88689026) is N-bis(propylsulfanyl)phosphoryl-N-propylethanethioamide.
What is the SMILES notation for N-bis(propylsulfanyl)phosphoryl-N-propylethanethioamide?
The canonical SMILES for N-bis(propylsulfanyl)phosphoryl-N-propylethanethioamide is CCCSP(=O)(SCCC)N(CCC)C(C)=S.
What is the InChIKey of N-bis(propylsulfanyl)phosphoryl-N-propylethanethioamide?
The InChIKey is TXSPVXWCJSYXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NOPS3/c1-5-8-12(11(4)15)14(13,16-9-6-2)17-10-7-3/h5-10H2,1-4H3.
What are the key properties of N-bis(propylsulfanyl)phosphoryl-N-propylethanethioamide?
N-bis(propylsulfanyl)phosphoryl-N-propylethanethioamide has a molecular weight of 313.49 g/mol, XLogP of 5.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(propylsulfanyl)phosphoryl-N-propylethanethioamide is sourced from PubChem (CID 88689026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).