1-[dimethylsulfamoyl(2-hydroxyethyl)amino]propan-2-ol

C7H18N2O4S — CID 112508100

IUPAC1-[dimethylsulfamoyl(2-hydroxyethyl)amino]propan-2-ol
SMILESCC(O)CN(CCO)S(=O)(=O)N(C)C
InChIInChI=1S/C7H18N2O4S/c1-7(11)6-9(4-5-10)14(12,13)8(2)3/h7,10-11H,4-6H2,1-3H3
InChIKeyQWUUTCHQTSOYHQ-UHFFFAOYSA-N
MW226.30 g/mol
LogP-1.53
Rot. Bonds6

About 1-[dimethylsulfamoyl(2-hydroxyethyl)amino]propan-2-ol

1-[dimethylsulfamoyl(2-hydroxyethyl)amino]propan-2-ol (PubChem CID 112508100) has the molecular formula C7H18N2O4S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-[dimethylsulfamoyl(2-hydroxyethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[dimethylsulfamoyl(2-hydroxyethyl)amino]propan-2-ol
PubChem CID112508100
Molecular FormulaC7H18N2O4S
Molecular Weight226.30 g/mol
Exact Mass226.10
IUPAC Name1-[dimethylsulfamoyl(2-hydroxyethyl)amino]propan-2-ol
SMILESCC(O)CN(CCO)S(=O)(=O)N(C)C
InChIInChI=1S/C7H18N2O4S/c1-7(11)6-9(4-5-10)14(12,13)8(2)3/h7,10-11H,4-6H2,1-3H3
InChIKeyQWUUTCHQTSOYHQ-UHFFFAOYSA-N
XLogP-1.53
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[dimethylsulfamoyl(2-hydroxyethyl)amino]propan-2-ol?
The IUPAC name of 1-[dimethylsulfamoyl(2-hydroxyethyl)amino]propan-2-ol (CID 112508100) is 1-[dimethylsulfamoyl(2-hydroxyethyl)amino]propan-2-ol.
What is the SMILES notation for 1-[dimethylsulfamoyl(2-hydroxyethyl)amino]propan-2-ol?
The canonical SMILES for 1-[dimethylsulfamoyl(2-hydroxyethyl)amino]propan-2-ol is CC(O)CN(CCO)S(=O)(=O)N(C)C.
What is the InChIKey of 1-[dimethylsulfamoyl(2-hydroxyethyl)amino]propan-2-ol?
The InChIKey is QWUUTCHQTSOYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O4S/c1-7(11)6-9(4-5-10)14(12,13)8(2)3/h7,10-11H,4-6H2,1-3H3.
What are the key properties of 1-[dimethylsulfamoyl(2-hydroxyethyl)amino]propan-2-ol?
1-[dimethylsulfamoyl(2-hydroxyethyl)amino]propan-2-ol has a molecular weight of 226.30 g/mol, XLogP of -1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethylsulfamoyl(2-hydroxyethyl)amino]propan-2-ol is sourced from PubChem (CID 112508100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).