methyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate

C10H22N2O4S — CID 114811428

IUPACmethyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate
SMILESCOC(=O)C(NS(=O)(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C10H22N2O4S/c1-7(2)8(9(13)16-6)11-17(14,15)12-10(3,4)5/h7-8,11-12H,1-6H3
InChIKeyKGTPTIHRDWFVIR-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.41
Rot. Bonds5

About methyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate

methyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate (PubChem CID 114811428) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is methyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate
PubChem CID114811428
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate
SMILESCOC(=O)C(NS(=O)(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C10H22N2O4S/c1-7(2)8(9(13)16-6)11-17(14,15)12-10(3,4)5/h7-8,11-12H,1-6H3
InChIKeyKGTPTIHRDWFVIR-UHFFFAOYSA-N
XLogP0.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid
CID 104977951
methyl 2-(ethylsulfamoylamino)-3-methylbutanoate
CID 114811430
methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate
CID 63821804
methyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate
CID 22627927
2-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine
CID 114804054
methyl (2R)-2-(2-chlorosulfonylhydrazinyl)-3-methylbutanoate
CID 18727226
methyl (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutanoate
CID 113494507
methyl 2-hydrazinyl-3-methylbutanoate
CID 55279143
methyl 2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutanoate
CID 79360906
methyl 3-methyl-2-[[propan-2-yl(prop-2-enyl)sulfamoyl]-prop-2-enylamino]butanoate;methyl 3-methyl-2-(propan-2-ylsulfamoylamino)butanoate
CID 90791035
methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate
CID 59435909
dimethyl (2S,3R)-2,3-bis(trifluoromethylsulfonylamino)butanedioate
CID 102512577

Frequently Asked Questions

What is the IUPAC name of methyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate?
The IUPAC name of methyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate (CID 114811428) is methyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate.
What is the SMILES notation for methyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate?
The canonical SMILES for methyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate is COC(=O)C(NS(=O)(=O)NC(C)(C)C)C(C)C.
What is the InChIKey of methyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate?
The InChIKey is KGTPTIHRDWFVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-7(2)8(9(13)16-6)11-17(14,15)12-10(3,4)5/h7-8,11-12H,1-6H3.
What are the key properties of methyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate?
methyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate has a molecular weight of 266.36 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate is sourced from PubChem (CID 114811428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).