methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate

C11H17NO4S2 — CID 93045702

IUPACmethyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate
SMILESCCC[C@@](C)(NS(=O)(=O)c1cccs1)C(=O)OC
InChIInChI=1S/C11H17NO4S2/c1-4-7-11(2,10(13)16-3)12-18(14,15)9-6-5-8-17-9/h5-6,8,12H,4,7H2,1-3H3/t11-/m1/s1
InChIKeyQNKSJYFHIOKZRQ-LLVKDONJSA-N
MW291.39 g/mol
LogP1.76
Rot. Bonds6

About methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate

methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate (PubChem CID 93045702) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate
PubChem CID93045702
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Namemethyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate
SMILESCCC[C@@](C)(NS(=O)(=O)c1cccs1)C(=O)OC
InChIInChI=1S/C11H17NO4S2/c1-4-7-11(2,10(13)16-3)12-18(14,15)9-6-5-8-17-9/h5-6,8,12H,4,7H2,1-3H3/t11-/m1/s1
InChIKeyQNKSJYFHIOKZRQ-LLVKDONJSA-N
XLogP1.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2,6-difluorophenyl)sulfonylamino]-2-methylpentanoate
CID 43431089
methyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate
CID 43624461
methyl 3,3,3-trifluoro-2-hydroxy-2-(thiophen-2-ylsulfonylamino)propanoate
CID 3619840
N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 64555451
methyl 2-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pentanoate
CID 43423698
tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate
CID 47454485
methyl 2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate
CID 43624452
2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide
CID 61121428
N-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide
CID 114294053
2-methyl-2-[2-(thiophen-2-ylsulfonylamino)propanoylamino]butanoic acid
CID 119199790
(2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide
CID 95567579
(2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid
CID 61173993

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate?
The IUPAC name of methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate (CID 93045702) is methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate.
What is the SMILES notation for methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate?
The canonical SMILES for methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate is CCC[C@@](C)(NS(=O)(=O)c1cccs1)C(=O)OC.
What is the InChIKey of methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate?
The InChIKey is QNKSJYFHIOKZRQ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-4-7-11(2,10(13)16-3)12-18(14,15)9-6-5-8-17-9/h5-6,8,12H,4,7H2,1-3H3/t11-/m1/s1.
What are the key properties of methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate?
methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate has a molecular weight of 291.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate is sourced from PubChem (CID 93045702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).