sodium;hydride;thiophen-2-yl (2S)-2-formamido-4-methylpentanoate

C11H16NNaO3S — CID 175523967

IUPACsodium;hydride;thiophen-2-yl (2S)-2-formamido-4-methylpentanoate
SMILESCC(C)C[C@H](NC=O)C(=O)Oc1cccs1.[H-].[Na+]
InChIInChI=1S/C11H15NO3S.Na.H/c1-8(2)6-9(12-7-13)11(14)15-10-4-3-5-16-10;;/h3-5,7-9H,6H2,1-2H3,(H,12,13);;/q;+1;-1/t9-;;/m0../s1
InChIKeyRYPACOIUAUNBIS-WWPIYYJJSA-N
MW265.31 g/mol
LogP-1.07
Rot. Bonds6

About sodium;hydride;thiophen-2-yl (2S)-2-formamido-4-methylpentanoate

sodium;hydride;thiophen-2-yl (2S)-2-formamido-4-methylpentanoate (PubChem CID 175523967) has the molecular formula C11H16NNaO3S and a molecular weight of 265.31 g/mol. Its IUPAC name is sodium;hydride;thiophen-2-yl (2S)-2-formamido-4-methylpentanoate.

Molecular Properties

Compound Namesodium;hydride;thiophen-2-yl (2S)-2-formamido-4-methylpentanoate
PubChem CID175523967
Molecular FormulaC11H16NNaO3S
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Namesodium;hydride;thiophen-2-yl (2S)-2-formamido-4-methylpentanoate
SMILESCC(C)C[C@H](NC=O)C(=O)Oc1cccs1.[H-].[Na+]
InChIInChI=1S/C11H15NO3S.Na.H/c1-8(2)6-9(12-7-13)11(14)15-10-4-3-5-16-10;;/h3-5,7-9H,6H2,1-2H3,(H,12,13);;/q;+1;-1/t9-;;/m0../s1
InChIKeyRYPACOIUAUNBIS-WWPIYYJJSA-N
XLogP-1.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-formamido-4-methylpentanoate
CID 54441995
methyl (2R)-4-methyl-2-(3-thiophen-2-ylprop-2-enoylamino)pentanoate
CID 91536082
dithiophen-2-yl 2-hydroxybutanedioate
CID 174458468
thiophen-2-yl acetate
CID 23617313
ethyl (2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoate
CID 125041848
thiophen-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 56997717
(2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid
CID 42150236
ethyl 3-formamido-4-thiophen-2-ylpent-4-enoate
CID 142178810
methyl 2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-methylpentanoate
CID 115286243
methyl (2S)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-4-methylpentanoate
CID 103954898
thiophen-2-yl (2S)-2-amino-4-sulfanylbutanoate
CID 174919096
(2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide
CID 163530285

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;thiophen-2-yl (2S)-2-formamido-4-methylpentanoate?
The IUPAC name of sodium;hydride;thiophen-2-yl (2S)-2-formamido-4-methylpentanoate (CID 175523967) is sodium;hydride;thiophen-2-yl (2S)-2-formamido-4-methylpentanoate.
What is the SMILES notation for sodium;hydride;thiophen-2-yl (2S)-2-formamido-4-methylpentanoate?
The canonical SMILES for sodium;hydride;thiophen-2-yl (2S)-2-formamido-4-methylpentanoate is CC(C)C[C@H](NC=O)C(=O)Oc1cccs1.[H-].[Na+].
What is the InChIKey of sodium;hydride;thiophen-2-yl (2S)-2-formamido-4-methylpentanoate?
The InChIKey is RYPACOIUAUNBIS-WWPIYYJJSA-N. The full InChI is InChI=1S/C11H15NO3S.Na.H/c1-8(2)6-9(12-7-13)11(14)15-10-4-3-5-16-10;;/h3-5,7-9H,6H2,1-2H3,(H,12,13);;/q;+1;-1/t9-;;/m0../s1.
What are the key properties of sodium;hydride;thiophen-2-yl (2S)-2-formamido-4-methylpentanoate?
sodium;hydride;thiophen-2-yl (2S)-2-formamido-4-methylpentanoate has a molecular weight of 265.31 g/mol, XLogP of -1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;thiophen-2-yl (2S)-2-formamido-4-methylpentanoate is sourced from PubChem (CID 175523967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).