1-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclobutane

C9H20N2O3S — CID 66005456

IUPAC1-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclobutane
SMILESCC(C)N(C)S(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C9H20N2O3S/c1-7(2)11(3)15(13,14)10-6-8-4-9(12)5-8/h7-10,12H,4-6H2,1-3H3
InChIKeyHKDQCSVMAAWWIL-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.07
Rot. Bonds5

About 1-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclobutane

1-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclobutane (PubChem CID 66005456) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclobutane.

Molecular Properties

Compound Name1-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclobutane
PubChem CID66005456
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name1-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclobutane
SMILESCC(C)N(C)S(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C9H20N2O3S/c1-7(2)11(3)15(13,14)10-6-8-4-9(12)5-8/h7-10,12H,4-6H2,1-3H3
InChIKeyHKDQCSVMAAWWIL-UHFFFAOYSA-N
XLogP-0.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclobutane?
The IUPAC name of 1-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclobutane (CID 66005456) is 1-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclobutane.
What is the SMILES notation for 1-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclobutane?
The canonical SMILES for 1-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclobutane is CC(C)N(C)S(=O)(=O)NCC1CC(O)C1.
What is the InChIKey of 1-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclobutane?
The InChIKey is HKDQCSVMAAWWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-7(2)11(3)15(13,14)10-6-8-4-9(12)5-8/h7-10,12H,4-6H2,1-3H3.
What are the key properties of 1-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclobutane?
1-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclobutane has a molecular weight of 236.34 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclobutane is sourced from PubChem (CID 66005456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).