2-[(4-hydroxy-2-methylbutan-2-yl)amino]ethanesulfonamide

C7H18N2O3S — CID 114385306

IUPAC2-[(4-hydroxy-2-methylbutan-2-yl)amino]ethanesulfonamide
SMILESCC(C)(CCO)NCCS(N)(=O)=O
InChIInChI=1S/C7H18N2O3S/c1-7(2,3-5-10)9-4-6-13(8,11)12/h9-10H,3-6H2,1-2H3,(H2,8,11,12)
InChIKeyWUGSRJRWVPNTFW-UHFFFAOYSA-N
MW210.30 g/mol
LogP-0.97
Rot. Bonds6

About 2-[(4-hydroxy-2-methylbutan-2-yl)amino]ethanesulfonamide

2-[(4-hydroxy-2-methylbutan-2-yl)amino]ethanesulfonamide (PubChem CID 114385306) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-[(4-hydroxy-2-methylbutan-2-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(4-hydroxy-2-methylbutan-2-yl)amino]ethanesulfonamide
PubChem CID114385306
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC Name2-[(4-hydroxy-2-methylbutan-2-yl)amino]ethanesulfonamide
SMILESCC(C)(CCO)NCCS(N)(=O)=O
InChIInChI=1S/C7H18N2O3S/c1-7(2,3-5-10)9-4-6-13(8,11)12/h9-10H,3-6H2,1-2H3,(H2,8,11,12)
InChIKeyWUGSRJRWVPNTFW-UHFFFAOYSA-N
XLogP-0.97
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide
CID 115690814
3-[(5-hydroxy-2-methylpentan-2-yl)amino]propane-1-sulfonic acid
CID 11976636
ethane-1,2-diol;ethane-1,2-disulfonamide
CID 23286412
2-(2,2-dimethylpropylamino)ethanesulfonamide
CID 61326165
2-(2-methylpentan-2-ylamino)ethanol
CID 23342156
3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide
CID 104580439
4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid
CID 114385391
3-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
CID 114809835
3-(3,3-dimethylbutylamino)propane-1-sulfonamide
CID 62950960
2-methyl-N-(2-methylsulfonylethyl)butan-2-amine
CID 60915670
3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol
CID 115134207
3-(2-methyltridecan-2-ylamino)propane-1-sulfonic acid
CID 18699565

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2-methylbutan-2-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(4-hydroxy-2-methylbutan-2-yl)amino]ethanesulfonamide (CID 114385306) is 2-[(4-hydroxy-2-methylbutan-2-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(4-hydroxy-2-methylbutan-2-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(4-hydroxy-2-methylbutan-2-yl)amino]ethanesulfonamide is CC(C)(CCO)NCCS(N)(=O)=O.
What is the InChIKey of 2-[(4-hydroxy-2-methylbutan-2-yl)amino]ethanesulfonamide?
The InChIKey is WUGSRJRWVPNTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-7(2,3-5-10)9-4-6-13(8,11)12/h9-10H,3-6H2,1-2H3,(H2,8,11,12).
What are the key properties of 2-[(4-hydroxy-2-methylbutan-2-yl)amino]ethanesulfonamide?
2-[(4-hydroxy-2-methylbutan-2-yl)amino]ethanesulfonamide has a molecular weight of 210.30 g/mol, XLogP of -0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2-methylbutan-2-yl)amino]ethanesulfonamide is sourced from PubChem (CID 114385306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).