methanamine;2-nitrothiophene

C5H8N2O2S — CID 175445943

IUPACmethanamine;2-nitrothiophene
SMILESCN.O=[N+]([O-])c1cccs1
InChIInChI=1S/C4H3NO2S.CH5N/c6-5(7)4-2-1-3-8-4;1-2/h1-3H;2H2,1H3
InChIKeyBPNJNECRLASCRO-UHFFFAOYSA-N
MW160.20 g/mol
LogP1.23
Rot. Bonds1

About methanamine;2-nitrothiophene

methanamine;2-nitrothiophene (PubChem CID 175445943) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is methanamine;2-nitrothiophene.

Molecular Properties

Compound Namemethanamine;2-nitrothiophene
PubChem CID175445943
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Namemethanamine;2-nitrothiophene
SMILESCN.O=[N+]([O-])c1cccs1
InChIInChI=1S/C4H3NO2S.CH5N/c6-5(7)4-2-1-3-8-4;1-2/h1-3H;2H2,1H3
InChIKeyBPNJNECRLASCRO-UHFFFAOYSA-N
XLogP1.23
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 methanamine;2-nitrothiophene?
The IUPAC name of methanamine;2-nitrothiophene (CID 175445943) is methanamine;2-nitrothiophene.
What is the SMILES notation for methanamine;2-nitrothiophene?
The canonical SMILES for methanamine;2-nitrothiophene is CN.O=[N+]([O-])c1cccs1.
What is the InChIKey of methanamine;2-nitrothiophene?
The InChIKey is BPNJNECRLASCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2S.CH5N/c6-5(7)4-2-1-3-8-4;1-2/h1-3H;2H2,1H3.
What are the key properties of methanamine;2-nitrothiophene?
methanamine;2-nitrothiophene has a molecular weight of 160.20 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-nitrothiophene is sourced from PubChem (CID 175445943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).