N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-propylformamide

C9H20NOPS2 — CID 117061132

IUPACN-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-propylformamide
SMILESCCCN(C=O)P(C)(=S)SC(C)CC
InChIInChI=1S/C9H20NOPS2/c1-5-7-10(8-11)12(4,13)14-9(3)6-2/h8-9H,5-7H2,1-4H3
InChIKeyWEIMJMGYFAEYDK-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.33
Rot. Bonds7

About N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-propylformamide

N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-propylformamide (PubChem CID 117061132) has the molecular formula C9H20NOPS2 and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-propylformamide.

Molecular Properties

Compound NameN-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-propylformamide
PubChem CID117061132
Molecular FormulaC9H20NOPS2
Molecular Weight253.37 g/mol
Exact Mass253.07
IUPAC NameN-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-propylformamide
SMILESCCCN(C=O)P(C)(=S)SC(C)CC
InChIInChI=1S/C9H20NOPS2/c1-5-7-10(8-11)12(4,13)14-9(3)6-2/h8-9H,5-7H2,1-4H3
InChIKeyWEIMJMGYFAEYDK-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-ethylformamide
CID 117061131
N-[butan-2-ylsulfanyl(ethylamino)phosphoryl]-N-ethylformamide
CID 54113607
N-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-N-hex-5-enylmethanethioamide
CID 54136413
S-propyl 2-[[butan-2-ylsulfanyl-[formyl(methyl)amino]phosphoryl]-methylamino]-2-oxoethanethioate
CID 54293744
butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane
CID 12918771
N-[butan-2-ylsulfanyl(chloro)phosphoryl]-N-methylmethanesulfonamide
CID 54521959
S-[methyl(propyl)amino] methanethioate
CID 54385630
potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 23699412
N-[[butan-2-ylsulfanyl(ethyl)phosphoryl]-methylsulfamoyl]-N-methylmethanamine
CID 86742742
N-[butan-2-ylsulfanyl(methylamino)phosphoryl]-N-methylprop-2-enamide
CID 88784059
2-diaminophosphinothioylsulfanylhexane
CID 56627428
N,N-dipropylbutan-2-amine
CID 524229

Frequently Asked Questions

What is the IUPAC name of N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-propylformamide?
The IUPAC name of N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-propylformamide (CID 117061132) is N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-propylformamide.
What is the SMILES notation for N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-propylformamide?
The canonical SMILES for N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-propylformamide is CCCN(C=O)P(C)(=S)SC(C)CC.
What is the InChIKey of N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-propylformamide?
The InChIKey is WEIMJMGYFAEYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NOPS2/c1-5-7-10(8-11)12(4,13)14-9(3)6-2/h8-9H,5-7H2,1-4H3.
What are the key properties of N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-propylformamide?
N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-propylformamide has a molecular weight of 253.37 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-propylformamide is sourced from PubChem (CID 117061132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).