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

C5H14N2O3S — CID 103736172

IUPAC(2S)-1-hydroxy-3-methyl-2-(sulfamoylamino)butane
SMILESCC(C)[C@@H](CO)NS(N)(=O)=O
InChIInChI=1S/C5H14N2O3S/c1-4(2)5(3-8)7-11(6,9)10/h4-5,7-8H,3H2,1-2H3,(H2,6,9,10)/t5-/m1/s1
InChIKeyCXOBJMTXYIRMCN-RXMQYKEDSA-N
MW182.25 g/mol
LogP-1.20
Rot. Bonds4

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

(2S)-1-hydroxy-3-methyl-2-(sulfamoylamino)butane (PubChem CID 103736172) has the molecular formula C5H14N2O3S and a molecular weight of 182.25 g/mol. Its IUPAC name is (2S)-1-hydroxy-3-methyl-2-(sulfamoylamino)butane.

Molecular Properties

Compound Name(2S)-1-hydroxy-3-methyl-2-(sulfamoylamino)butane
PubChem CID103736172
Molecular FormulaC5H14N2O3S
Molecular Weight182.25 g/mol
Exact Mass182.07
IUPAC Name(2S)-1-hydroxy-3-methyl-2-(sulfamoylamino)butane
SMILESCC(C)[C@@H](CO)NS(N)(=O)=O
InChIInChI=1S/C5H14N2O3S/c1-4(2)5(3-8)7-11(6,9)10/h4-5,7-8H,3H2,1-2H3,(H2,6,9,10)/t5-/m1/s1
InChIKeyCXOBJMTXYIRMCN-RXMQYKEDSA-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

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropane-1-sulfonamide
CID 79255900
2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane
CID 79022091
1-hydroxy-2-methyl-3-(sulfamoylamino)butane
CID 115643202
(2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 79255703
1-hydroxy-2-methyl-3-(sulfamoylamino)propane
CID 112689052
4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2,6-dimethylbenzenesulfonamide
CID 79588447
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 79588527
N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 73191893
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79248106
2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 106932287
2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol
CID 114815733
1-hydroxy-4-(sulfamoylamino)pentane
CID 112698307

Frequently Asked Questions

What is the IUPAC name of (2S)-1-hydroxy-3-methyl-2-(sulfamoylamino)butane?
The IUPAC name of (2S)-1-hydroxy-3-methyl-2-(sulfamoylamino)butane (CID 103736172) is (2S)-1-hydroxy-3-methyl-2-(sulfamoylamino)butane.
What is the SMILES notation for (2S)-1-hydroxy-3-methyl-2-(sulfamoylamino)butane?
The canonical SMILES for (2S)-1-hydroxy-3-methyl-2-(sulfamoylamino)butane is CC(C)[C@@H](CO)NS(N)(=O)=O.
What is the InChIKey of (2S)-1-hydroxy-3-methyl-2-(sulfamoylamino)butane?
The InChIKey is CXOBJMTXYIRMCN-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H14N2O3S/c1-4(2)5(3-8)7-11(6,9)10/h4-5,7-8H,3H2,1-2H3,(H2,6,9,10)/t5-/m1/s1.
What are the key properties of (2S)-1-hydroxy-3-methyl-2-(sulfamoylamino)butane?
(2S)-1-hydroxy-3-methyl-2-(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 (2S)-1-hydroxy-3-methyl-2-(sulfamoylamino)butane is sourced from PubChem (CID 103736172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).