2-morpholin-4-yl-1-(5-nitrothiophen-2-yl)propan-2-amine

C11H17N3O3S — CID 84748144

IUPAC2-morpholin-4-yl-1-(5-nitrothiophen-2-yl)propan-2-amine
SMILESCC(N)(Cc1ccc([N+](=O)[O-])s1)N1CCOCC1
InChIInChI=1S/C11H17N3O3S/c1-11(12,13-4-6-17-7-5-13)8-9-2-3-10(18-9)14(15)16/h2-3H,4-8,12H2,1H3
InChIKeyOFXPHTIHGNCPKZ-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.21
Rot. Bonds4

About 2-morpholin-4-yl-1-(5-nitrothiophen-2-yl)propan-2-amine

2-morpholin-4-yl-1-(5-nitrothiophen-2-yl)propan-2-amine (PubChem CID 84748144) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-(5-nitrothiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-1-(5-nitrothiophen-2-yl)propan-2-amine
PubChem CID84748144
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-morpholin-4-yl-1-(5-nitrothiophen-2-yl)propan-2-amine
SMILESCC(N)(Cc1ccc([N+](=O)[O-])s1)N1CCOCC1
InChIInChI=1S/C11H17N3O3S/c1-11(12,13-4-6-17-7-5-13)8-9-2-3-10(18-9)14(15)16/h2-3H,4-8,12H2,1H3
InChIKeyOFXPHTIHGNCPKZ-UHFFFAOYSA-N
XLogP1.21
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-morpholin-4-yl-1-(5-nitrothiophen-2-yl)propan-2-amine?
The IUPAC name of 2-morpholin-4-yl-1-(5-nitrothiophen-2-yl)propan-2-amine (CID 84748144) is 2-morpholin-4-yl-1-(5-nitrothiophen-2-yl)propan-2-amine.
What is the SMILES notation for 2-morpholin-4-yl-1-(5-nitrothiophen-2-yl)propan-2-amine?
The canonical SMILES for 2-morpholin-4-yl-1-(5-nitrothiophen-2-yl)propan-2-amine is CC(N)(Cc1ccc([N+](=O)[O-])s1)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-1-(5-nitrothiophen-2-yl)propan-2-amine?
The InChIKey is OFXPHTIHGNCPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-11(12,13-4-6-17-7-5-13)8-9-2-3-10(18-9)14(15)16/h2-3H,4-8,12H2,1H3.
What are the key properties of 2-morpholin-4-yl-1-(5-nitrothiophen-2-yl)propan-2-amine?
2-morpholin-4-yl-1-(5-nitrothiophen-2-yl)propan-2-amine has a molecular weight of 271.34 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-(5-nitrothiophen-2-yl)propan-2-amine is sourced from PubChem (CID 84748144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).