sodium;2-(1-benzothiophen-2-ylamino)acetic acid;hydride

C10H10NNaO2S — CID 173419506

IUPACsodium;2-(1-benzothiophen-2-ylamino)acetic acid;hydride
SMILESO=C(O)CNc1cc2ccccc2s1.[H-].[Na+]
InChIInChI=1S/C10H9NO2S.Na.H/c12-10(13)6-11-9-5-7-3-1-2-4-8(7)14-9;;/h1-5,11H,6H2,(H,12,13);;/q;+1;-1
InChIKeyFAOOSUNVVQEWJW-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.49
Rot. Bonds3

About sodium;2-(1-benzothiophen-2-ylamino)acetic acid;hydride

sodium;2-(1-benzothiophen-2-ylamino)acetic acid;hydride (PubChem CID 173419506) has the molecular formula C10H10NNaO2S and a molecular weight of 231.25 g/mol. Its IUPAC name is sodium;2-(1-benzothiophen-2-ylamino)acetic acid;hydride.

Molecular Properties

Compound Namesodium;2-(1-benzothiophen-2-ylamino)acetic acid;hydride
PubChem CID173419506
Molecular FormulaC10H10NNaO2S
Molecular Weight231.25 g/mol
Exact Mass231.03
IUPAC Namesodium;2-(1-benzothiophen-2-ylamino)acetic acid;hydride
SMILESO=C(O)CNc1cc2ccccc2s1.[H-].[Na+]
InChIInChI=1S/C10H9NO2S.Na.H/c12-10(13)6-11-9-5-7-3-1-2-4-8(7)14-9;;/h1-5,11H,6H2,(H,12,13);;/q;+1;-1
InChIKeyFAOOSUNVVQEWJW-UHFFFAOYSA-N
XLogP-0.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(1-benzothiophene-2-carbonylamino)acetyl]amino]acetic acid
CID 43388124
(3R)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoic acid
CID 102424617
N-methyl-1-benzothiophen-2-amine
CID 18186472
2-[1-(1-benzothiophen-2-ylmethoxy)ethenylamino]acetic acid
CID 144532145
4-amino-3-(1-benzothiophen-2-yl)-3-methylbutanoic acid
CID 114911228
2-amino-N-(1-benzothiophen-2-yl)benzamide
CID 147635883
1-benzothiophen-2-ylthiourea
CID 54554781
2-(sulfinatoamino)-1-benzothiophene
CID 69305734
N-(1-benzothiophen-2-yl)cyclooctanecarboxamide
CID 150772406
1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea
CID 2811404
bis(1-benzothiophen-2-yl)methanone
CID 5330534
(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid
CID 901528

Frequently Asked Questions

What is the IUPAC name of sodium;2-(1-benzothiophen-2-ylamino)acetic acid;hydride?
The IUPAC name of sodium;2-(1-benzothiophen-2-ylamino)acetic acid;hydride (CID 173419506) is sodium;2-(1-benzothiophen-2-ylamino)acetic acid;hydride.
What is the SMILES notation for sodium;2-(1-benzothiophen-2-ylamino)acetic acid;hydride?
The canonical SMILES for sodium;2-(1-benzothiophen-2-ylamino)acetic acid;hydride is O=C(O)CNc1cc2ccccc2s1.[H-].[Na+].
What is the InChIKey of sodium;2-(1-benzothiophen-2-ylamino)acetic acid;hydride?
The InChIKey is FAOOSUNVVQEWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S.Na.H/c12-10(13)6-11-9-5-7-3-1-2-4-8(7)14-9;;/h1-5,11H,6H2,(H,12,13);;/q;+1;-1.
What are the key properties of sodium;2-(1-benzothiophen-2-ylamino)acetic acid;hydride?
sodium;2-(1-benzothiophen-2-ylamino)acetic acid;hydride has a molecular weight of 231.25 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(1-benzothiophen-2-ylamino)acetic acid;hydride is sourced from PubChem (CID 173419506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).