2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

C14H15N3O4S — CID 135736582

IUPAC2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C14H15N3O4S/c18-12(7-9-5-6-22(20,21)8-9)16-17-13-10-3-1-2-4-11(10)15-14(13)19/h1-4,9,15,19H,5-8H2/b17-16+/t9-/m0/s1
InChIKeyXFQQIOFAGOAJAW-DKIZVAMUSA-N
MW321.36 g/mol
LogP2.31
Rot. Bonds3

About 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 135736582) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID135736582
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C14H15N3O4S/c18-12(7-9-5-6-22(20,21)8-9)16-17-13-10-3-1-2-4-11(10)15-14(13)19/h1-4,9,15,19H,5-8H2/b17-16+/t9-/m0/s1
InChIKeyXFQQIOFAGOAJAW-DKIZVAMUSA-N
XLogP2.31
TPSA111.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide
CID 922351
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-pyrrolidin-1-ylacetamide
CID 3070816
2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135802167
N-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide
CID 4997686
2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide
CID 137274442
4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide
CID 3134459
(3R)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-1,1-dioxothiolane-3-carboxamide
CID 135817760
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135776758
(2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide
CID 766456
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 3513432
(2-hydroxy-1H-indol-3-yl)iminothiourea
CID 690109
2-[(4-bromophenyl)sulfonylamino]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135957644

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 135736582) is 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is O=C(C[C@@H]1CCS(=O)(=O)C1)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is XFQQIOFAGOAJAW-DKIZVAMUSA-N. The full InChI is InChI=1S/C14H15N3O4S/c18-12(7-9-5-6-22(20,21)8-9)16-17-13-10-3-1-2-4-11(10)15-14(13)19/h1-4,9,15,19H,5-8H2/b17-16+/t9-/m0/s1.
What are the key properties of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 321.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 135736582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).