1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methyl-3-methylsulfanylpropane

C10H24N2O3S2 — CID 103835696

IUPAC1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methyl-3-methylsulfanylpropane
SMILESCCCCN(C)S(=O)(=O)NCC(C)(O)CSC
InChIInChI=1S/C10H24N2O3S2/c1-5-6-7-12(3)17(14,15)11-8-10(2,13)9-16-4/h11,13H,5-9H2,1-4H3
InChIKeyQZJPTGJCDUDRMP-UHFFFAOYSA-N
MW284.45 g/mol
LogP0.67
Rot. Bonds9

About 1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methyl-3-methylsulfanylpropane

1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methyl-3-methylsulfanylpropane (PubChem CID 103835696) has the molecular formula C10H24N2O3S2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methyl-3-methylsulfanylpropane.

Molecular Properties

Compound Name1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methyl-3-methylsulfanylpropane
PubChem CID103835696
Molecular FormulaC10H24N2O3S2
Molecular Weight284.45 g/mol
Exact Mass284.12
IUPAC Name1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methyl-3-methylsulfanylpropane
SMILESCCCCN(C)S(=O)(=O)NCC(C)(O)CSC
InChIInChI=1S/C10H24N2O3S2/c1-5-6-7-12(3)17(14,15)11-8-10(2,13)9-16-4/h11,13H,5-9H2,1-4H3
InChIKeyQZJPTGJCDUDRMP-UHFFFAOYSA-N
XLogP0.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methyl-3-methylsulfanylpropane?
The IUPAC name of 1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methyl-3-methylsulfanylpropane (CID 103835696) is 1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methyl-3-methylsulfanylpropane.
What is the SMILES notation for 1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methyl-3-methylsulfanylpropane?
The canonical SMILES for 1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methyl-3-methylsulfanylpropane is CCCCN(C)S(=O)(=O)NCC(C)(O)CSC.
What is the InChIKey of 1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methyl-3-methylsulfanylpropane?
The InChIKey is QZJPTGJCDUDRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S2/c1-5-6-7-12(3)17(14,15)11-8-10(2,13)9-16-4/h11,13H,5-9H2,1-4H3.
What are the key properties of 1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methyl-3-methylsulfanylpropane?
1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methyl-3-methylsulfanylpropane has a molecular weight of 284.45 g/mol, XLogP of 0.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methyl-3-methylsulfanylpropane is sourced from PubChem (CID 103835696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).