acetic acid;N-[2-(hydroxyamino)-1-thiophen-2-ylpropylidene]hydroxylamine

C9H14N2O4S — CID 2833779

IUPACacetic acid;N-[2-(hydroxyamino)-1-thiophen-2-ylpropylidene]hydroxylamine
SMILESCC(=O)O.CC(NO)C(=NO)c1cccs1
InChIInChI=1S/C7H10N2O2S.C2H4O2/c1-5(8-10)7(9-11)6-3-2-4-12-6;1-2(3)4/h2-5,8,10-11H,1H3;1H3,(H,3,4)
InChIKeyHBTKOLOWBUJMSK-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.38
Rot. Bonds3

About acetic acid;N-[2-(hydroxyamino)-1-thiophen-2-ylpropylidene]hydroxylamine

acetic acid;N-[2-(hydroxyamino)-1-thiophen-2-ylpropylidene]hydroxylamine (PubChem CID 2833779) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is acetic acid;N-[2-(hydroxyamino)-1-thiophen-2-ylpropylidene]hydroxylamine.

Molecular Properties

Compound Nameacetic acid;N-[2-(hydroxyamino)-1-thiophen-2-ylpropylidene]hydroxylamine
PubChem CID2833779
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Nameacetic acid;N-[2-(hydroxyamino)-1-thiophen-2-ylpropylidene]hydroxylamine
SMILESCC(=O)O.CC(NO)C(=NO)c1cccs1
InChIInChI=1S/C7H10N2O2S.C2H4O2/c1-5(8-10)7(9-11)6-3-2-4-12-6;1-2(3)4/h2-5,8,10-11H,1H3;1H3,(H,3,4)
InChIKeyHBTKOLOWBUJMSK-UHFFFAOYSA-N
XLogP1.38
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

propan-2-amine;thiophene-2-carboxylic acid
CID 174701743
(2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one
CID 93492517
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
CID 11204853
CID 11204853
(2S)-2-anilino-1-thiophen-2-ylpropan-1-one
CID 155933844
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
formaldehyde;thiophene-2-carboxylic acid
CID 158716916
(E)-but-2-enedioic acid;thiophene-2-carboxylic acid
CID 172841521
N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide
CID 6154232
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-(dithiophen-2-ylmethylidene)hydroxylamine
CID 2775140
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[2-(hydroxyamino)-1-thiophen-2-ylpropylidene]hydroxylamine?
The IUPAC name of acetic acid;N-[2-(hydroxyamino)-1-thiophen-2-ylpropylidene]hydroxylamine (CID 2833779) is acetic acid;N-[2-(hydroxyamino)-1-thiophen-2-ylpropylidene]hydroxylamine.
What is the SMILES notation for acetic acid;N-[2-(hydroxyamino)-1-thiophen-2-ylpropylidene]hydroxylamine?
The canonical SMILES for acetic acid;N-[2-(hydroxyamino)-1-thiophen-2-ylpropylidene]hydroxylamine is CC(=O)O.CC(NO)C(=NO)c1cccs1.
What is the InChIKey of acetic acid;N-[2-(hydroxyamino)-1-thiophen-2-ylpropylidene]hydroxylamine?
The InChIKey is HBTKOLOWBUJMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S.C2H4O2/c1-5(8-10)7(9-11)6-3-2-4-12-6;1-2(3)4/h2-5,8,10-11H,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;N-[2-(hydroxyamino)-1-thiophen-2-ylpropylidene]hydroxylamine?
acetic acid;N-[2-(hydroxyamino)-1-thiophen-2-ylpropylidene]hydroxylamine has a molecular weight of 246.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[2-(hydroxyamino)-1-thiophen-2-ylpropylidene]hydroxylamine is sourced from PubChem (CID 2833779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).