(2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane

C9H22N2O3S — CID 79255703

IUPAC(2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
SMILESCC(C)[C@@H](CO)NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C9H22N2O3S/c1-7(2)9(6-12)10-15(13,14)11(5)8(3)4/h7-10,12H,6H2,1-5H3/t9-/m1/s1
InChIKeyJCZFQVUFBSXLKA-SECBINFHSA-N
MW238.35 g/mol
LogP0.18
Rot. Bonds6

About (2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane

(2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane (PubChem CID 79255703) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is (2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane.

Molecular Properties

Compound Name(2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
PubChem CID79255703
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name(2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
SMILESCC(C)[C@@H](CO)NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C9H22N2O3S/c1-7(2)9(6-12)10-15(13,14)11(5)8(3)4/h7-10,12H,6H2,1-5H3/t9-/m1/s1
InChIKeyJCZFQVUFBSXLKA-SECBINFHSA-N
XLogP0.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane with MolForge

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Related Compounds

2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane
CID 79022091
(2R)-1-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 79028078
2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
CID 79256341
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
CID 79256086
(2R)-1-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 103918549
(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
(2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 104933802
2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 61455877
(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 (2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane?
The IUPAC name of (2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane (CID 79255703) is (2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane.
What is the SMILES notation for (2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane?
The canonical SMILES for (2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane is CC(C)[C@@H](CO)NS(=O)(=O)N(C)C(C)C.
What is the InChIKey of (2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane?
The InChIKey is JCZFQVUFBSXLKA-SECBINFHSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-7(2)9(6-12)10-15(13,14)11(5)8(3)4/h7-10,12H,6H2,1-5H3/t9-/m1/s1.
What are the key properties of (2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane?
(2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane has a molecular weight of 238.35 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane is sourced from PubChem (CID 79255703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).