N-(2-nitro-1-thiophen-2-ylethyl)hydroxylamine

C6H8N2O3S — CID 134926714

IUPACN-(2-nitro-1-thiophen-2-ylethyl)hydroxylamine
SMILESO=[N+]([O-])CC(NO)c1cccs1
InChIInChI=1S/C6H8N2O3S/c9-7-5(4-8(10)11)6-2-1-3-12-6/h1-3,5,7,9H,4H2
InChIKeyQYNLJQISRFHKSH-UHFFFAOYSA-N
MW188.21 g/mol
LogP1.04
Rot. Bonds4

About N-(2-nitro-1-thiophen-2-ylethyl)hydroxylamine

N-(2-nitro-1-thiophen-2-ylethyl)hydroxylamine (PubChem CID 134926714) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is N-(2-nitro-1-thiophen-2-ylethyl)hydroxylamine.

Molecular Properties

Compound NameN-(2-nitro-1-thiophen-2-ylethyl)hydroxylamine
PubChem CID134926714
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC NameN-(2-nitro-1-thiophen-2-ylethyl)hydroxylamine
SMILESO=[N+]([O-])CC(NO)c1cccs1
InChIInChI=1S/C6H8N2O3S/c9-7-5(4-8(10)11)6-2-1-3-12-6/h1-3,5,7,9H,4H2
InChIKeyQYNLJQISRFHKSH-UHFFFAOYSA-N
XLogP1.04
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-nitro-1-thiophen-2-ylethyl)hydroxylamine?
The IUPAC name of N-(2-nitro-1-thiophen-2-ylethyl)hydroxylamine (CID 134926714) is N-(2-nitro-1-thiophen-2-ylethyl)hydroxylamine.
What is the SMILES notation for N-(2-nitro-1-thiophen-2-ylethyl)hydroxylamine?
The canonical SMILES for N-(2-nitro-1-thiophen-2-ylethyl)hydroxylamine is O=[N+]([O-])CC(NO)c1cccs1.
What is the InChIKey of N-(2-nitro-1-thiophen-2-ylethyl)hydroxylamine?
The InChIKey is QYNLJQISRFHKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c9-7-5(4-8(10)11)6-2-1-3-12-6/h1-3,5,7,9H,4H2.
What are the key properties of N-(2-nitro-1-thiophen-2-ylethyl)hydroxylamine?
N-(2-nitro-1-thiophen-2-ylethyl)hydroxylamine has a molecular weight of 188.21 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitro-1-thiophen-2-ylethyl)hydroxylamine is sourced from PubChem (CID 134926714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).