2-imino-2-[4-[(3S)-oxolan-3-yl]sulfinylphenyl]acetamide

C12H14N2O3S — CID 143392271

IUPAC2-imino-2-[4-[(3S)-oxolan-3-yl]sulfinylphenyl]acetamide
SMILES[H]/N=C(\C(N)=O)c1ccc(S(=O)[C@H]2CCOC2)cc1
InChIInChI=1S/C12H14N2O3S/c13-11(12(14)15)8-1-3-9(4-2-8)18(16)10-5-6-17-7-10/h1-4,10,13H,5-7H2,(H2,14,15)/b13-11-/t10-,18?/m0/s1
InChIKeyLRABZODWKTXHBD-HATLZYRTSA-N
MW266.32 g/mol
LogP0.44
Rot. Bonds4

About 2-imino-2-[4-[(3S)-oxolan-3-yl]sulfinylphenyl]acetamide

2-imino-2-[4-[(3S)-oxolan-3-yl]sulfinylphenyl]acetamide (PubChem CID 143392271) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-imino-2-[4-[(3S)-oxolan-3-yl]sulfinylphenyl]acetamide.

Molecular Properties

Compound Name2-imino-2-[4-[(3S)-oxolan-3-yl]sulfinylphenyl]acetamide
PubChem CID143392271
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-imino-2-[4-[(3S)-oxolan-3-yl]sulfinylphenyl]acetamide
SMILES[H]/N=C(\C(N)=O)c1ccc(S(=O)[C@H]2CCOC2)cc1
InChIInChI=1S/C12H14N2O3S/c13-11(12(14)15)8-1-3-9(4-2-8)18(16)10-5-6-17-7-10/h1-4,10,13H,5-7H2,(H2,14,15)/b13-11-/t10-,18?/m0/s1
InChIKeyLRABZODWKTXHBD-HATLZYRTSA-N
XLogP0.44
TPSA93.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-imino-2-phenylacetamide
CID 18431878
2-imino-2-(4-sulfanylphenyl)acetamide;methanamine
CID 143392409
5-(oxolan-3-ylsulfinyl)furan-2-carboxylic acid
CID 63946565
2-methyl-5-(oxan-3-ylsulfinyl)benzoic acid
CID 107137198
ethyl 4-cyclopropylsulfinylbenzoate
CID 170184554
3-bromo-4-(oxolan-3-yloxy)benzenecarboximidamide
CID 82798806
2-(4-cyclopropylsulfanylphenyl)-2-iminoacetamide;1-methoxypropan-2-ol
CID 143392421
3-bromo-4-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 82799234
3-bromo-4-(oxan-3-ylsulfinyl)aniline
CID 107138230
4-[1-(oxolan-3-yloxy)ethyl]benzamide
CID 154052713
sodium (3R)-oxolane-3-sulfinate
CID 155973008
4-chloro-3-(oxolan-3-ylamino)benzamide
CID 63332059

Frequently Asked Questions

What is the IUPAC name of 2-imino-2-[4-[(3S)-oxolan-3-yl]sulfinylphenyl]acetamide?
The IUPAC name of 2-imino-2-[4-[(3S)-oxolan-3-yl]sulfinylphenyl]acetamide (CID 143392271) is 2-imino-2-[4-[(3S)-oxolan-3-yl]sulfinylphenyl]acetamide.
What is the SMILES notation for 2-imino-2-[4-[(3S)-oxolan-3-yl]sulfinylphenyl]acetamide?
The canonical SMILES for 2-imino-2-[4-[(3S)-oxolan-3-yl]sulfinylphenyl]acetamide is [H]/N=C(\C(N)=O)c1ccc(S(=O)[C@H]2CCOC2)cc1.
What is the InChIKey of 2-imino-2-[4-[(3S)-oxolan-3-yl]sulfinylphenyl]acetamide?
The InChIKey is LRABZODWKTXHBD-HATLZYRTSA-N. The full InChI is InChI=1S/C12H14N2O3S/c13-11(12(14)15)8-1-3-9(4-2-8)18(16)10-5-6-17-7-10/h1-4,10,13H,5-7H2,(H2,14,15)/b13-11-/t10-,18?/m0/s1.
What are the key properties of 2-imino-2-[4-[(3S)-oxolan-3-yl]sulfinylphenyl]acetamide?
2-imino-2-[4-[(3S)-oxolan-3-yl]sulfinylphenyl]acetamide has a molecular weight of 266.32 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-[4-[(3S)-oxolan-3-yl]sulfinylphenyl]acetamide is sourced from PubChem (CID 143392271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).