2-methyl-1-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propan-2-ol

C9H22N2O3S — CID 79387869

IUPAC2-methyl-1-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propan-2-ol
SMILESCC(C)N(C)S(=O)(=O)N(C)CC(C)(C)O
InChIInChI=1S/C9H22N2O3S/c1-8(2)11(6)15(13,14)10(5)7-9(3,4)12/h8,12H,7H2,1-6H3
InChIKeyGMSRLQQKTXTDLB-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.27
Rot. Bonds5

About 2-methyl-1-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propan-2-ol

2-methyl-1-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propan-2-ol (PubChem CID 79387869) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propan-2-ol
PubChem CID79387869
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name2-methyl-1-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propan-2-ol
SMILESCC(C)N(C)S(=O)(=O)N(C)CC(C)(C)O
InChIInChI=1S/C9H22N2O3S/c1-8(2)11(6)15(13,14)10(5)7-9(3,4)12/h8,12H,7H2,1-6H3
InChIKeyGMSRLQQKTXTDLB-UHFFFAOYSA-N
XLogP0.27
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propan-2-ol (CID 79387869) is 2-methyl-1-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propan-2-ol is CC(C)N(C)S(=O)(=O)N(C)CC(C)(C)O.
What is the InChIKey of 2-methyl-1-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propan-2-ol?
The InChIKey is GMSRLQQKTXTDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-8(2)11(6)15(13,14)10(5)7-9(3,4)12/h8,12H,7H2,1-6H3.
What are the key properties of 2-methyl-1-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propan-2-ol?
2-methyl-1-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propan-2-ol has a molecular weight of 238.35 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propan-2-ol is sourced from PubChem (CID 79387869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).