ethyl (2S)-3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoate

C10H14ClNO5S2 — CID 97307644

IUPACethyl (2S)-3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoate
SMILESCCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO5S2/c1-3-17-9(13)10(2,14)6-12-19(15,16)8-5-4-7(11)18-8/h4-5,12,14H,3,6H2,1-2H3/t10-/m0/s1
InChIKeySAOKSQVDCYFHAN-JTQLQIEISA-N
MW327.81 g/mol
LogP0.99
Rot. Bonds6

About ethyl (2S)-3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoate

ethyl (2S)-3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoate (PubChem CID 97307644) has the molecular formula C10H14ClNO5S2 and a molecular weight of 327.81 g/mol. Its IUPAC name is ethyl (2S)-3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoate
PubChem CID97307644
Molecular FormulaC10H14ClNO5S2
Molecular Weight327.81 g/mol
Exact Mass327.00
IUPAC Nameethyl (2S)-3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoate
SMILESCCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO5S2/c1-3-17-9(13)10(2,14)6-12-19(15,16)8-5-4-7(11)18-8/h4-5,12,14H,3,6H2,1-2H3/t10-/m0/s1
InChIKeySAOKSQVDCYFHAN-JTQLQIEISA-N
XLogP0.99
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2R)-3-[(4-ethoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoate
CID 97307640
5-chloro-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide
CID 104858721
3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxypropanamide
CID 107258327
ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 2815498
5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-sulfonamide
CID 97428450
5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780906
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide
CID 78786909
5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid
CID 43235820
N-(3-aminobutyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide
CID 119498376
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998754
2-amino-N-(5-chlorothiophen-2-yl)sulfonylacetamide
CID 68844992

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoate?
The IUPAC name of ethyl (2S)-3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoate (CID 97307644) is ethyl (2S)-3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for ethyl (2S)-3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoate?
The canonical SMILES for ethyl (2S)-3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoate is CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of ethyl (2S)-3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoate?
The InChIKey is SAOKSQVDCYFHAN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14ClNO5S2/c1-3-17-9(13)10(2,14)6-12-19(15,16)8-5-4-7(11)18-8/h4-5,12,14H,3,6H2,1-2H3/t10-/m0/s1.
What are the key properties of ethyl (2S)-3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoate?
ethyl (2S)-3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoate has a molecular weight of 327.81 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 97307644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).