(2R)-2-benzamidobutane-1-sulfinic acid

C11H15NO3S — CID 10776490

IUPAC(2R)-2-benzamidobutane-1-sulfinic acid
SMILESCC[C@H](CS(=O)O)NC(=O)c1ccccc1
InChIInChI=1S/C11H15NO3S/c1-2-10(8-16(14)15)12-11(13)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,13)(H,14,15)/t10-/m1/s1
InChIKeyUWAYNKKQXGJUQW-SNVBAGLBSA-N
MW241.31 g/mol
LogP1.42
Rot. Bonds5

About (2R)-2-benzamidobutane-1-sulfinic acid

(2R)-2-benzamidobutane-1-sulfinic acid (PubChem CID 10776490) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is (2R)-2-benzamidobutane-1-sulfinic acid.

Molecular Properties

Compound Name(2R)-2-benzamidobutane-1-sulfinic acid
PubChem CID10776490
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name(2R)-2-benzamidobutane-1-sulfinic acid
SMILESCC[C@H](CS(=O)O)NC(=O)c1ccccc1
InChIInChI=1S/C11H15NO3S/c1-2-10(8-16(14)15)12-11(13)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,13)(H,14,15)/t10-/m1/s1
InChIKeyUWAYNKKQXGJUQW-SNVBAGLBSA-N
XLogP1.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 9120177
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N-pentan-3-ylpyridine-4-carboxamide
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2,2-dibenzamidoacetic acid
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N-pentan-3-yl-4-(phenoxymethyl)benzamide
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3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzamidobutane-1-sulfinic acid?
The IUPAC name of (2R)-2-benzamidobutane-1-sulfinic acid (CID 10776490) is (2R)-2-benzamidobutane-1-sulfinic acid.
What is the SMILES notation for (2R)-2-benzamidobutane-1-sulfinic acid?
The canonical SMILES for (2R)-2-benzamidobutane-1-sulfinic acid is CC[C@H](CS(=O)O)NC(=O)c1ccccc1.
What is the InChIKey of (2R)-2-benzamidobutane-1-sulfinic acid?
The InChIKey is UWAYNKKQXGJUQW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-2-10(8-16(14)15)12-11(13)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,13)(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-2-benzamidobutane-1-sulfinic acid?
(2R)-2-benzamidobutane-1-sulfinic acid has a molecular weight of 241.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzamidobutane-1-sulfinic acid is sourced from PubChem (CID 10776490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).