1-hydroxy-2-methyl-3-(sulfamoylamino)butane

C5H14N2O3S — CID 115643202

IUPAC1-hydroxy-2-methyl-3-(sulfamoylamino)butane
SMILESCC(CO)C(C)NS(N)(=O)=O
InChIInChI=1S/C5H14N2O3S/c1-4(3-8)5(2)7-11(6,9)10/h4-5,7-8H,3H2,1-2H3,(H2,6,9,10)
InChIKeyPGOSTGCHOMVZME-UHFFFAOYSA-N
MW182.25 g/mol
LogP-1.20
Rot. Bonds4

About 1-hydroxy-2-methyl-3-(sulfamoylamino)butane

1-hydroxy-2-methyl-3-(sulfamoylamino)butane (PubChem CID 115643202) has the molecular formula C5H14N2O3S and a molecular weight of 182.25 g/mol. Its IUPAC name is 1-hydroxy-2-methyl-3-(sulfamoylamino)butane.

Molecular Properties

Compound Name1-hydroxy-2-methyl-3-(sulfamoylamino)butane
PubChem CID115643202
Molecular FormulaC5H14N2O3S
Molecular Weight182.25 g/mol
Exact Mass182.07
IUPAC Name1-hydroxy-2-methyl-3-(sulfamoylamino)butane
SMILESCC(CO)C(C)NS(N)(=O)=O
InChIInChI=1S/C5H14N2O3S/c1-4(3-8)5(2)7-11(6,9)10/h4-5,7-8H,3H2,1-2H3,(H2,6,9,10)
InChIKeyPGOSTGCHOMVZME-UHFFFAOYSA-N
XLogP-1.20
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-hydroxy-3-methyl-2-(sulfamoylamino)butane
CID 103736172
2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethanesulfonamide
CID 114385300
2-chloro-N-(4-hydroxy-3-methylbutan-2-yl)ethanesulfonamide
CID 107652469
(2R)-1-amino-2-(sulfamoylamino)propane;hydrochloride
CID 169235178
4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzamide
CID 115754843
1-hydroxy-4-(sulfamoylamino)pentane
CID 112698307
1-hydroxy-2-methyl-3-(sulfamoylamino)propane
CID 112689052
4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide
CID 115967682
N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide
CID 115754877
6-amino-N-(4-hydroxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 113484660
2-methyl-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol
CID 115901107
4-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 113484662

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-methyl-3-(sulfamoylamino)butane?
The IUPAC name of 1-hydroxy-2-methyl-3-(sulfamoylamino)butane (CID 115643202) is 1-hydroxy-2-methyl-3-(sulfamoylamino)butane.
What is the SMILES notation for 1-hydroxy-2-methyl-3-(sulfamoylamino)butane?
The canonical SMILES for 1-hydroxy-2-methyl-3-(sulfamoylamino)butane is CC(CO)C(C)NS(N)(=O)=O.
What is the InChIKey of 1-hydroxy-2-methyl-3-(sulfamoylamino)butane?
The InChIKey is PGOSTGCHOMVZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O3S/c1-4(3-8)5(2)7-11(6,9)10/h4-5,7-8H,3H2,1-2H3,(H2,6,9,10).
What are the key properties of 1-hydroxy-2-methyl-3-(sulfamoylamino)butane?
1-hydroxy-2-methyl-3-(sulfamoylamino)butane has a molecular weight of 182.25 g/mol, XLogP of -1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-methyl-3-(sulfamoylamino)butane is sourced from PubChem (CID 115643202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).