2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethanesulfonamide

C7H18N2O3S — CID 114385300

IUPAC2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethanesulfonamide
SMILESCC(CO)C(C)NCCS(N)(=O)=O
InChIInChI=1S/C7H18N2O3S/c1-6(5-10)7(2)9-3-4-13(8,11)12/h6-7,9-10H,3-5H2,1-2H3,(H2,8,11,12)
InChIKeyJFTPZIWIAVTEDH-UHFFFAOYSA-N
MW210.30 g/mol
LogP-1.12
Rot. Bonds6

About 2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethanesulfonamide

2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethanesulfonamide (PubChem CID 114385300) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethanesulfonamide
PubChem CID114385300
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC Name2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethanesulfonamide
SMILESCC(CO)C(C)NCCS(N)(=O)=O
InChIInChI=1S/C7H18N2O3S/c1-6(5-10)7(2)9-3-4-13(8,11)12/h6-7,9-10H,3-5H2,1-2H3,(H2,8,11,12)
InChIKeyJFTPZIWIAVTEDH-UHFFFAOYSA-N
XLogP-1.12
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 ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxy-2-methyl-3-(sulfamoylamino)butane
CID 115643202
2-(2-sulfamoylethylamino)propanamide
CID 114384800
3-(2-sulfamoylethylamino)butanamide
CID 114385219
N-methyl-2-(2-sulfamoylethylamino)propanamide
CID 114384925
2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide
CID 114385222
2-(heptan-4-ylamino)ethanesulfonamide
CID 43551797
2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide
CID 107705457
2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
CID 115901107
2-bromo-N-(2-sulfamoylethyl)propanamide
CID 107903383
2-methyl-6-(2-sulfamoylethylamino)heptanoic acid
CID 114385392
2-chloro-N-(4-hydroxy-3-methylbutan-2-yl)ethanesulfonamide
CID 107652469
2-(3-hydroxybutan-2-ylamino)ethanesulfonic acid
CID 54222396

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethanesulfonamide (CID 114385300) is 2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethanesulfonamide is CC(CO)C(C)NCCS(N)(=O)=O.
What is the InChIKey of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethanesulfonamide?
The InChIKey is JFTPZIWIAVTEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-6(5-10)7(2)9-3-4-13(8,11)12/h6-7,9-10H,3-5H2,1-2H3,(H2,8,11,12).
What are the key properties of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethanesulfonamide?
2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethanesulfonamide has a molecular weight of 210.30 g/mol, XLogP of -1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethanesulfonamide is sourced from PubChem (CID 114385300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).