2-(dimethylsulfamoylamino)-1-hydroxy-4-methylpentane

C8H20N2O3S — CID 61246976

IUPAC2-(dimethylsulfamoylamino)-1-hydroxy-4-methylpentane
SMILESCC(C)CC(CO)NS(=O)(=O)N(C)C
InChIInChI=1S/C8H20N2O3S/c1-7(2)5-8(6-11)9-14(12,13)10(3)4/h7-9,11H,5-6H2,1-4H3
InChIKeyHWUOSLFRIRUAEC-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.21
Rot. Bonds6

About 2-(dimethylsulfamoylamino)-1-hydroxy-4-methylpentane

2-(dimethylsulfamoylamino)-1-hydroxy-4-methylpentane (PubChem CID 61246976) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-1-hydroxy-4-methylpentane.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-1-hydroxy-4-methylpentane
PubChem CID61246976
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name2-(dimethylsulfamoylamino)-1-hydroxy-4-methylpentane
SMILESCC(C)CC(CO)NS(=O)(=O)N(C)C
InChIInChI=1S/C8H20N2O3S/c1-7(2)5-8(6-11)9-14(12,13)10(3)4/h7-9,11H,5-6H2,1-4H3
InChIKeyHWUOSLFRIRUAEC-UHFFFAOYSA-N
XLogP-0.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-1-hydroxy-4-methylpentane?
The IUPAC name of 2-(dimethylsulfamoylamino)-1-hydroxy-4-methylpentane (CID 61246976) is 2-(dimethylsulfamoylamino)-1-hydroxy-4-methylpentane.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-1-hydroxy-4-methylpentane?
The canonical SMILES for 2-(dimethylsulfamoylamino)-1-hydroxy-4-methylpentane is CC(C)CC(CO)NS(=O)(=O)N(C)C.
What is the InChIKey of 2-(dimethylsulfamoylamino)-1-hydroxy-4-methylpentane?
The InChIKey is HWUOSLFRIRUAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-7(2)5-8(6-11)9-14(12,13)10(3)4/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 2-(dimethylsulfamoylamino)-1-hydroxy-4-methylpentane?
2-(dimethylsulfamoylamino)-1-hydroxy-4-methylpentane has a molecular weight of 224.33 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-1-hydroxy-4-methylpentane is sourced from PubChem (CID 61246976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).