methanesulfonamide;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid

C11H24N2O6S2 — CID 20622905

IUPACmethanesulfonamide;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid
SMILESCS(N)(=O)=O.CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO4S.CH5NO2S/c1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4;1-5(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13);1H3,(H2,2,3,4)/t7-;/m0./s1
InChIKeyFMBRAIUREKTSKX-FJXQXJEOSA-N
MW344.46 g/mol
LogP0.62
Rot. Bonds5

About methanesulfonamide;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid

methanesulfonamide;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid (PubChem CID 20622905) has the molecular formula C11H24N2O6S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is methanesulfonamide;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Namemethanesulfonamide;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid
PubChem CID20622905
Molecular FormulaC11H24N2O6S2
Molecular Weight344.46 g/mol
Exact Mass344.11
IUPAC Namemethanesulfonamide;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid
SMILESCS(N)(=O)=O.CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO4S.CH5NO2S/c1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4;1-5(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13);1H3,(H2,2,3,4)/t7-;/m0./s1
InChIKeyFMBRAIUREKTSKX-FJXQXJEOSA-N
XLogP0.62
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methanesulfonamide;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid with MolForge

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Related Compounds

(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-4-methylsulfanylbutanoic acid
CID 71374557
tert-butyl N-[(2S)-1-chloro-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 131217550
tert-butyl N-[4-methylsulfanyl-1-oxo-1-(pentan-3-ylamino)butan-2-yl]carbamate
CID 43103815
tert-butyl N-[4-methylsulfanyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
CID 24688995
(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
CID 13454474
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-sulfobutanoic acid
CID 167726879
2-methylprop-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate
CID 11748703
methyl (2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]propanoate
CID 86308295
(2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 13066457
tert-butyl N-[1-(2-hydroxyethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 85145706
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate
CID 11645794
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutyl] methanesulfonate
CID 85120556

Frequently Asked Questions

What is the IUPAC name of methanesulfonamide;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid?
The IUPAC name of methanesulfonamide;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid (CID 20622905) is methanesulfonamide;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for methanesulfonamide;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for methanesulfonamide;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid is CS(N)(=O)=O.CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of methanesulfonamide;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid?
The InChIKey is FMBRAIUREKTSKX-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H19NO4S.CH5NO2S/c1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4;1-5(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13);1H3,(H2,2,3,4)/t7-;/m0./s1.
What are the key properties of methanesulfonamide;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid?
methanesulfonamide;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid has a molecular weight of 344.46 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonamide;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 20622905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).