methyl 2-(ethylsulfamoylamino)-3-methylbutanoate

C8H18N2O4S — CID 114811430

IUPACmethyl 2-(ethylsulfamoylamino)-3-methylbutanoate
SMILESCCNS(=O)(=O)NC(C(=O)OC)C(C)C
InChIInChI=1S/C8H18N2O4S/c1-5-9-15(12,13)10-7(6(2)3)8(11)14-4/h6-7,9-10H,5H2,1-4H3
InChIKeyZFRBDSDLTIJNFL-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.37
Rot. Bonds6

About methyl 2-(ethylsulfamoylamino)-3-methylbutanoate

methyl 2-(ethylsulfamoylamino)-3-methylbutanoate (PubChem CID 114811430) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is methyl 2-(ethylsulfamoylamino)-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-(ethylsulfamoylamino)-3-methylbutanoate
PubChem CID114811430
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Namemethyl 2-(ethylsulfamoylamino)-3-methylbutanoate
SMILESCCNS(=O)(=O)NC(C(=O)OC)C(C)C
InChIInChI=1S/C8H18N2O4S/c1-5-9-15(12,13)10-7(6(2)3)8(11)14-4/h6-7,9-10H,5H2,1-4H3
InChIKeyZFRBDSDLTIJNFL-UHFFFAOYSA-N
XLogP-0.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate
CID 22627927
methyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate
CID 114811428
methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate
CID 63821804
ethyl 2-(ethylsulfamoylamino)propanoate
CID 115638422
methyl (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutanoate
CID 113494507
methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate
CID 103946924
tert-butyl (2S)-2-(ethylsulfamoylamino)propanoate
CID 103821556
2-(ethylsulfamoylamino)propanethioamide
CID 114808115
(2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid
CID 104977826
methyl 3-methyl-2-(propan-2-ylsulfonylamino)pentanoate
CID 64585319
methyl 2-hydrazinyl-3-methylbutanoate
CID 55279143
tert-butyl (2R)-2-(butylsulfonylamino)-3-methylbutanoate
CID 81002609

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylsulfamoylamino)-3-methylbutanoate?
The IUPAC name of methyl 2-(ethylsulfamoylamino)-3-methylbutanoate (CID 114811430) is methyl 2-(ethylsulfamoylamino)-3-methylbutanoate.
What is the SMILES notation for methyl 2-(ethylsulfamoylamino)-3-methylbutanoate?
The canonical SMILES for methyl 2-(ethylsulfamoylamino)-3-methylbutanoate is CCNS(=O)(=O)NC(C(=O)OC)C(C)C.
What is the InChIKey of methyl 2-(ethylsulfamoylamino)-3-methylbutanoate?
The InChIKey is ZFRBDSDLTIJNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-5-9-15(12,13)10-7(6(2)3)8(11)14-4/h6-7,9-10H,5H2,1-4H3.
What are the key properties of methyl 2-(ethylsulfamoylamino)-3-methylbutanoate?
methyl 2-(ethylsulfamoylamino)-3-methylbutanoate has a molecular weight of 238.31 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylsulfamoylamino)-3-methylbutanoate is sourced from PubChem (CID 114811430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).