2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane

C7H18N2O3S — CID 79022091

IUPAC2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane
SMILESCC(C)C(CO)NS(=O)(=O)N(C)C
InChIInChI=1S/C7H18N2O3S/c1-6(2)7(5-10)8-13(11,12)9(3)4/h6-8,10H,5H2,1-4H3
InChIKeyFBSKRRYOPWKJRO-UHFFFAOYSA-N
MW210.30 g/mol
LogP-0.60
Rot. Bonds5

About 2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane

2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane (PubChem CID 79022091) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane
PubChem CID79022091
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC Name2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane
SMILESCC(C)C(CO)NS(=O)(=O)N(C)C
InChIInChI=1S/C7H18N2O3S/c1-6(2)7(5-10)8-13(11,12)9(3)4/h6-8,10H,5H2,1-4H3
InChIKeyFBSKRRYOPWKJRO-UHFFFAOYSA-N
XLogP-0.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 79255703
2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
CID 79256341
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
CID 79256086
(2S)-1-hydroxy-3-methyl-2-(sulfamoylamino)butane
CID 103736172
[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 79256333
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropane-1-sulfonamide
CID 79255900
2-(dimethylsulfamoylamino)-1-hydroxybutane
CID 43501763
(2R)-1-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 79028078
2-(dimethylsulfamoylamino)pentane
CID 4635587
1-bromo-3-(dimethylsulfamoylamino)butane
CID 83178686
(2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutan-1-ol
CID 114987230
(2S)-3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
CID 79254407

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane?
The IUPAC name of 2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane (CID 79022091) is 2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane?
The canonical SMILES for 2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane is CC(C)C(CO)NS(=O)(=O)N(C)C.
What is the InChIKey of 2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane?
The InChIKey is FBSKRRYOPWKJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-6(2)7(5-10)8-13(11,12)9(3)4/h6-8,10H,5H2,1-4H3.
What are the key properties of 2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane?
2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane has a molecular weight of 210.30 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane is sourced from PubChem (CID 79022091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).