N-[[butan-2-ylsulfanyl(ethyl)phosphoryl]-methylsulfamoyl]-N-methylmethanamine

C9H23N2O3PS2 — CID 86742742

IUPACN-[[butan-2-ylsulfanyl(ethyl)phosphoryl]-methylsulfamoyl]-N-methylmethanamine
SMILESCCC(C)SP(=O)(CC)N(C)S(=O)(=O)N(C)C
InChIInChI=1S/C9H23N2O3PS2/c1-7-9(3)16-15(12,8-2)11(6)17(13,14)10(4)5/h9H,7-8H2,1-6H3
InChIKeyZXIVLKJLESLKHO-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.47
Rot. Bonds7

About N-[[butan-2-ylsulfanyl(ethyl)phosphoryl]-methylsulfamoyl]-N-methylmethanamine

N-[[butan-2-ylsulfanyl(ethyl)phosphoryl]-methylsulfamoyl]-N-methylmethanamine (PubChem CID 86742742) has the molecular formula C9H23N2O3PS2 and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[[butan-2-ylsulfanyl(ethyl)phosphoryl]-methylsulfamoyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[[butan-2-ylsulfanyl(ethyl)phosphoryl]-methylsulfamoyl]-N-methylmethanamine
PubChem CID86742742
Molecular FormulaC9H23N2O3PS2
Molecular Weight302.40 g/mol
Exact Mass302.09
IUPAC NameN-[[butan-2-ylsulfanyl(ethyl)phosphoryl]-methylsulfamoyl]-N-methylmethanamine
SMILESCCC(C)SP(=O)(CC)N(C)S(=O)(=O)N(C)C
InChIInChI=1S/C9H23N2O3PS2/c1-7-9(3)16-15(12,8-2)11(6)17(13,14)10(4)5/h9H,7-8H2,1-6H3
InChIKeyZXIVLKJLESLKHO-UHFFFAOYSA-N
XLogP2.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[butan-2-ylsulfanyl(ethyl)phosphoryl]-methylsulfamoyl]-N-methylmethanamine?
The IUPAC name of N-[[butan-2-ylsulfanyl(ethyl)phosphoryl]-methylsulfamoyl]-N-methylmethanamine (CID 86742742) is N-[[butan-2-ylsulfanyl(ethyl)phosphoryl]-methylsulfamoyl]-N-methylmethanamine.
What is the SMILES notation for N-[[butan-2-ylsulfanyl(ethyl)phosphoryl]-methylsulfamoyl]-N-methylmethanamine?
The canonical SMILES for N-[[butan-2-ylsulfanyl(ethyl)phosphoryl]-methylsulfamoyl]-N-methylmethanamine is CCC(C)SP(=O)(CC)N(C)S(=O)(=O)N(C)C.
What is the InChIKey of N-[[butan-2-ylsulfanyl(ethyl)phosphoryl]-methylsulfamoyl]-N-methylmethanamine?
The InChIKey is ZXIVLKJLESLKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N2O3PS2/c1-7-9(3)16-15(12,8-2)11(6)17(13,14)10(4)5/h9H,7-8H2,1-6H3.
What are the key properties of N-[[butan-2-ylsulfanyl(ethyl)phosphoryl]-methylsulfamoyl]-N-methylmethanamine?
N-[[butan-2-ylsulfanyl(ethyl)phosphoryl]-methylsulfamoyl]-N-methylmethanamine has a molecular weight of 302.40 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[butan-2-ylsulfanyl(ethyl)phosphoryl]-methylsulfamoyl]-N-methylmethanamine is sourced from PubChem (CID 86742742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).