(2S)-2-(diethylsulfamoylazaniumyl)-4-methylpentanoate

C10H22N2O4S — CID 28783956

IUPAC(2S)-2-(diethylsulfamoylazaniumyl)-4-methylpentanoate
SMILESCCN(CC)S(=O)(=O)[NH2+][C@@H](CC(C)C)C(=O)[O-]
InChIInChI=1S/C10H22N2O4S/c1-5-12(6-2)17(15,16)11-9(10(13)14)7-8(3)4/h8-9,11H,5-7H2,1-4H3,(H,13,14)/t9-/m0/s1
InChIKeyNWRJBENOJGBALY-VIFPVBQESA-N
MW266.36 g/mol
LogP-1.70
Rot. Bonds8

About (2S)-2-(diethylsulfamoylazaniumyl)-4-methylpentanoate

(2S)-2-(diethylsulfamoylazaniumyl)-4-methylpentanoate (PubChem CID 28783956) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is (2S)-2-(diethylsulfamoylazaniumyl)-4-methylpentanoate.

Molecular Properties

Compound Name(2S)-2-(diethylsulfamoylazaniumyl)-4-methylpentanoate
PubChem CID28783956
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name(2S)-2-(diethylsulfamoylazaniumyl)-4-methylpentanoate
SMILESCCN(CC)S(=O)(=O)[NH2+][C@@H](CC(C)C)C(=O)[O-]
InChIInChI=1S/C10H22N2O4S/c1-5-12(6-2)17(15,16)11-9(10(13)14)7-8(3)4/h8-9,11H,5-7H2,1-4H3,(H,13,14)/t9-/m0/s1
InChIKeyNWRJBENOJGBALY-VIFPVBQESA-N
XLogP-1.70
TPSA94.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-methyl-2-(pyrrolidin-1-ylsulfonylazaniumyl)pentanoate
CID 28783923
1-(diethylsulfamoylamino)-2-methylpropane
CID 60708093
calcium bis((2S)-2-hydroxy-4-methylpentanoate)
CID 91659042
(2S)-3-hydroxy-2-(methylazaniumyl)propanoate
CID 7009639
sodium (2S)-2-hydroxy-4-methylpentanoate
CID 23663428
dipotassium;N-ethyl-N-propan-2-ylpropan-2-amine;carbonate
CID 159108384
2-amino-4-methylpentanoate
CID 157437742
3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid
CID 114814475
lithium;sodium;2-methylpropanoate;propanoate
CID 22366595
(2S)-2-amino-4-methylpentanoate;iron(3+)
CID 172736256
N-[2-(diethylamino)-4-methylpentyl]acetohydrazide
CID 163853487
3-(diethylsulfamoylamino)-2-methylpropanoic acid
CID 62675349

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(diethylsulfamoylazaniumyl)-4-methylpentanoate?
The IUPAC name of (2S)-2-(diethylsulfamoylazaniumyl)-4-methylpentanoate (CID 28783956) is (2S)-2-(diethylsulfamoylazaniumyl)-4-methylpentanoate.
What is the SMILES notation for (2S)-2-(diethylsulfamoylazaniumyl)-4-methylpentanoate?
The canonical SMILES for (2S)-2-(diethylsulfamoylazaniumyl)-4-methylpentanoate is CCN(CC)S(=O)(=O)[NH2+][C@@H](CC(C)C)C(=O)[O-].
What is the InChIKey of (2S)-2-(diethylsulfamoylazaniumyl)-4-methylpentanoate?
The InChIKey is NWRJBENOJGBALY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-5-12(6-2)17(15,16)11-9(10(13)14)7-8(3)4/h8-9,11H,5-7H2,1-4H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-(diethylsulfamoylazaniumyl)-4-methylpentanoate?
(2S)-2-(diethylsulfamoylazaniumyl)-4-methylpentanoate has a molecular weight of 266.36 g/mol, XLogP of -1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(diethylsulfamoylazaniumyl)-4-methylpentanoate is sourced from PubChem (CID 28783956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).