1,1-diethyl-3-[methyl(sulfamoyl)amino]cyclobutane

C9H20N2O2S — CID 167049158

IUPAC1,1-diethyl-3-[methyl(sulfamoyl)amino]cyclobutane
SMILESCCC1(CC)CC(N(C)S(N)(=O)=O)C1
InChIInChI=1S/C9H20N2O2S/c1-4-9(5-2)6-8(7-9)11(3)14(10,12)13/h8H,4-7H2,1-3H3,(H2,10,12,13)
InChIKeyVRQVLTUQQHDEMX-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.09
Rot. Bonds4

About 1,1-diethyl-3-[methyl(sulfamoyl)amino]cyclobutane

1,1-diethyl-3-[methyl(sulfamoyl)amino]cyclobutane (PubChem CID 167049158) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1,1-diethyl-3-[methyl(sulfamoyl)amino]cyclobutane.

Molecular Properties

Compound Name1,1-diethyl-3-[methyl(sulfamoyl)amino]cyclobutane
PubChem CID167049158
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1,1-diethyl-3-[methyl(sulfamoyl)amino]cyclobutane
SMILESCCC1(CC)CC(N(C)S(N)(=O)=O)C1
InChIInChI=1S/C9H20N2O2S/c1-4-9(5-2)6-8(7-9)11(3)14(10,12)13/h8H,4-7H2,1-3H3,(H2,10,12,13)
InChIKeyVRQVLTUQQHDEMX-UHFFFAOYSA-N
XLogP1.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[methyl(sulfamoyl)amino]cyclobutane?
The IUPAC name of 1,1-diethyl-3-[methyl(sulfamoyl)amino]cyclobutane (CID 167049158) is 1,1-diethyl-3-[methyl(sulfamoyl)amino]cyclobutane.
What is the SMILES notation for 1,1-diethyl-3-[methyl(sulfamoyl)amino]cyclobutane?
The canonical SMILES for 1,1-diethyl-3-[methyl(sulfamoyl)amino]cyclobutane is CCC1(CC)CC(N(C)S(N)(=O)=O)C1.
What is the InChIKey of 1,1-diethyl-3-[methyl(sulfamoyl)amino]cyclobutane?
The InChIKey is VRQVLTUQQHDEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-4-9(5-2)6-8(7-9)11(3)14(10,12)13/h8H,4-7H2,1-3H3,(H2,10,12,13).
What are the key properties of 1,1-diethyl-3-[methyl(sulfamoyl)amino]cyclobutane?
1,1-diethyl-3-[methyl(sulfamoyl)amino]cyclobutane has a molecular weight of 220.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[methyl(sulfamoyl)amino]cyclobutane is sourced from PubChem (CID 167049158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).