methyl (2S)-2-(pyridin-2-ylsulfonylamino)pent-4-enoate

C11H14N2O4S — CID 15431612

IUPACmethyl (2S)-2-(pyridin-2-ylsulfonylamino)pent-4-enoate
SMILESC=CC[C@H](NS(=O)(=O)c1ccccn1)C(=O)OC
InChIInChI=1S/C11H14N2O4S/c1-3-6-9(11(14)17-2)13-18(15,16)10-7-4-5-8-12-10/h3-5,7-9,13H,1,6H2,2H3/t9-/m0/s1
InChIKeyCLZSIWZZNYFADU-VIFPVBQESA-N
MW270.31 g/mol
LogP0.48
Rot. Bonds6

About methyl (2S)-2-(pyridin-2-ylsulfonylamino)pent-4-enoate

methyl (2S)-2-(pyridin-2-ylsulfonylamino)pent-4-enoate (PubChem CID 15431612) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is methyl (2S)-2-(pyridin-2-ylsulfonylamino)pent-4-enoate.

Molecular Properties

Compound Namemethyl (2S)-2-(pyridin-2-ylsulfonylamino)pent-4-enoate
PubChem CID15431612
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Namemethyl (2S)-2-(pyridin-2-ylsulfonylamino)pent-4-enoate
SMILESC=CC[C@H](NS(=O)(=O)c1ccccn1)C(=O)OC
InChIInChI=1S/C11H14N2O4S/c1-3-6-9(11(14)17-2)13-18(15,16)10-7-4-5-8-12-10/h3-5,7-9,13H,1,6H2,2H3/t9-/m0/s1
InChIKeyCLZSIWZZNYFADU-VIFPVBQESA-N
XLogP0.48
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(Pyridine-3-sulfonamido)propanoic acid
CID 24694896
2-(Pyridine-3-sulfonamido)acetic acid
CID 14676503
Propyl 2-amino-3-(2-bromopyridine-4-sulfonamido)propanoate
CID 139026810
1-Pyridin-3-ylsulfonylazetidine-2-carboxylic acid
CID 46885598
5-bromo-N-(1-methoxypropan-2-yl)pyridine-2-sulfonamide
CID 53619732
(2S)-2-amino-3-(pyridin-3-ylsulfonylamino)butanedioic acid
CID 134149576
(2R)-2-amino-3-[(S)-pyridin-2-ylsulfinyl]propanoic acid
CID 163036727
2-(N-methylpyridine-3-sulfonamido)acetic acid
CID 24698584
N-Methyl-2-pyridinesulfonamide
CID 19361829
[2-Fluoro-1-(pyridin-3-ylsulfonylamino)ethyl] acetate
CID 53969718
(Pyridin-2-ylsulfonylamino) 2,2,2-trifluoroacetate
CID 149940874
(2S)-2-amino-4-fluoro-4-pyridin-2-ylsulfonylbutanoic acid
CID 166951358

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(pyridin-2-ylsulfonylamino)pent-4-enoate?
The IUPAC name of methyl (2S)-2-(pyridin-2-ylsulfonylamino)pent-4-enoate (CID 15431612) is methyl (2S)-2-(pyridin-2-ylsulfonylamino)pent-4-enoate.
What is the SMILES notation for methyl (2S)-2-(pyridin-2-ylsulfonylamino)pent-4-enoate?
The canonical SMILES for methyl (2S)-2-(pyridin-2-ylsulfonylamino)pent-4-enoate is C=CC[C@H](NS(=O)(=O)c1ccccn1)C(=O)OC.
What is the InChIKey of methyl (2S)-2-(pyridin-2-ylsulfonylamino)pent-4-enoate?
The InChIKey is CLZSIWZZNYFADU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-3-6-9(11(14)17-2)13-18(15,16)10-7-4-5-8-12-10/h3-5,7-9,13H,1,6H2,2H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-(pyridin-2-ylsulfonylamino)pent-4-enoate?
methyl (2S)-2-(pyridin-2-ylsulfonylamino)pent-4-enoate has a molecular weight of 270.31 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(pyridin-2-ylsulfonylamino)pent-4-enoate is sourced from PubChem (CID 15431612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).