(2S)-2-amino-3-methylbutanoic acid;N,N-dimethylsulfamoyl chloride

C7H17ClN2O4S — CID 87885045

IUPAC(2S)-2-amino-3-methylbutanoic acid;N,N-dimethylsulfamoyl chloride
SMILESCC(C)[C@H](N)C(=O)O.CN(C)S(=O)(=O)Cl
InChIInChI=1S/C5H11NO2.C2H6ClNO2S/c1-3(2)4(6)5(7)8;1-4(2)7(3,5)6/h3-4H,6H2,1-2H3,(H,7,8);1-2H3/t4-;/m0./s1
InChIKeyDVFRQIOUQJZLIR-WCCKRBBISA-N
MW260.74 g/mol
LogP0.09
Rot. Bonds3

About (2S)-2-amino-3-methylbutanoic acid;N,N-dimethylsulfamoyl chloride

(2S)-2-amino-3-methylbutanoic acid;N,N-dimethylsulfamoyl chloride (PubChem CID 87885045) has the molecular formula C7H17ClN2O4S and a molecular weight of 260.74 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid;N,N-dimethylsulfamoyl chloride.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoic acid;N,N-dimethylsulfamoyl chloride
PubChem CID87885045
Molecular FormulaC7H17ClN2O4S
Molecular Weight260.74 g/mol
Exact Mass260.06
IUPAC Name(2S)-2-amino-3-methylbutanoic acid;N,N-dimethylsulfamoyl chloride
SMILESCC(C)[C@H](N)C(=O)O.CN(C)S(=O)(=O)Cl
InChIInChI=1S/C5H11NO2.C2H6ClNO2S/c1-3(2)4(6)5(7)8;1-4(2)7(3,5)6/h3-4H,6H2,1-2H3,(H,7,8);1-2H3/t4-;/m0./s1
InChIKeyDVFRQIOUQJZLIR-WCCKRBBISA-N
XLogP0.09
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoic acid;N,N-dimethylsulfamoyl chloride?
The IUPAC name of (2S)-2-amino-3-methylbutanoic acid;N,N-dimethylsulfamoyl chloride (CID 87885045) is (2S)-2-amino-3-methylbutanoic acid;N,N-dimethylsulfamoyl chloride.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoic acid;N,N-dimethylsulfamoyl chloride?
The canonical SMILES for (2S)-2-amino-3-methylbutanoic acid;N,N-dimethylsulfamoyl chloride is CC(C)[C@H](N)C(=O)O.CN(C)S(=O)(=O)Cl.
What is the InChIKey of (2S)-2-amino-3-methylbutanoic acid;N,N-dimethylsulfamoyl chloride?
The InChIKey is DVFRQIOUQJZLIR-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2.C2H6ClNO2S/c1-3(2)4(6)5(7)8;1-4(2)7(3,5)6/h3-4H,6H2,1-2H3,(H,7,8);1-2H3/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methylbutanoic acid;N,N-dimethylsulfamoyl chloride?
(2S)-2-amino-3-methylbutanoic acid;N,N-dimethylsulfamoyl chloride has a molecular weight of 260.74 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanoic acid;N,N-dimethylsulfamoyl chloride is sourced from PubChem (CID 87885045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).