3-(diethylsulfamoylamino)-2-methylpropanoic acid

C8H18N2O4S — CID 62675349

IUPAC3-(diethylsulfamoylamino)-2-methylpropanoic acid
SMILESCCN(CC)S(=O)(=O)NCC(C)C(=O)O
InChIInChI=1S/C8H18N2O4S/c1-4-10(5-2)15(13,14)9-6-7(3)8(11)12/h7,9H,4-6H2,1-3H3,(H,11,12)
InChIKeyBUHFAIQIUBGPGD-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.12
Rot. Bonds7

About 3-(diethylsulfamoylamino)-2-methylpropanoic acid

3-(diethylsulfamoylamino)-2-methylpropanoic acid (PubChem CID 62675349) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-(diethylsulfamoylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(diethylsulfamoylamino)-2-methylpropanoic acid
PubChem CID62675349
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name3-(diethylsulfamoylamino)-2-methylpropanoic acid
SMILESCCN(CC)S(=O)(=O)NCC(C)C(=O)O
InChIInChI=1S/C8H18N2O4S/c1-4-10(5-2)15(13,14)9-6-7(3)8(11)12/h7,9H,4-6H2,1-3H3,(H,11,12)
InChIKeyBUHFAIQIUBGPGD-UHFFFAOYSA-N
XLogP-0.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(diethylsulfamoylamino)-2-hydroxypropanoic acid
CID 104936006
1-(diethylsulfamoylamino)-2-methylpropane
CID 60708093
3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid
CID 114814475
2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane
CID 64539372
1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane
CID 66108866
(2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid
CID 63307130
3-[ethyl(methylsulfonylmethylsulfonyl)amino]-2-methylpropanoic acid
CID 82838542
2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid
CID 114814529
3-[cyclopropylsulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 64552405
methyl 3-(diethylsulfamoylamino)propanoate
CID 60713707
1-amino-4-(diethylsulfamoylamino)butane
CID 60894331
CID 89275024
CID 89275024

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(diethylsulfamoylamino)-2-methylpropanoic acid (CID 62675349) is 3-(diethylsulfamoylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(diethylsulfamoylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(diethylsulfamoylamino)-2-methylpropanoic acid is CCN(CC)S(=O)(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-(diethylsulfamoylamino)-2-methylpropanoic acid?
The InChIKey is BUHFAIQIUBGPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-4-10(5-2)15(13,14)9-6-7(3)8(11)12/h7,9H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 3-(diethylsulfamoylamino)-2-methylpropanoic acid?
3-(diethylsulfamoylamino)-2-methylpropanoic acid has a molecular weight of 238.31 g/mol, XLogP of -0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoylamino)-2-methylpropanoic acid is sourced from PubChem (CID 62675349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).