3-nitro-2-thiophen-2-ylpropan-1-amine

C7H10N2O2S — CID 10726209

IUPAC3-nitro-2-thiophen-2-ylpropan-1-amine
SMILESNCC(C[N+](=O)[O-])c1cccs1
InChIInChI=1S/C7H10N2O2S/c8-4-6(5-9(10)11)7-2-1-3-12-7/h1-3,6H,4-5,8H2
InChIKeyUKHJFYSCNOIPPR-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.07
Rot. Bonds4

About 3-nitro-2-thiophen-2-ylpropan-1-amine

3-nitro-2-thiophen-2-ylpropan-1-amine (PubChem CID 10726209) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-nitro-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-nitro-2-thiophen-2-ylpropan-1-amine
PubChem CID10726209
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name3-nitro-2-thiophen-2-ylpropan-1-amine
SMILESNCC(C[N+](=O)[O-])c1cccs1
InChIInChI=1S/C7H10N2O2S/c8-4-6(5-9(10)11)7-2-1-3-12-7/h1-3,6H,4-5,8H2
InChIKeyUKHJFYSCNOIPPR-UHFFFAOYSA-N
XLogP1.07
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.07
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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Related Compounds

(1R)-2-nitro-1-thiophen-2-ylethanol
CID 687342
(3S)-4-amino-3-thiophen-2-ylbutanal
CID 143655944
(3S)-4-nitro-1-pyridin-2-yl-3-thiophen-2-ylbutan-1-one
CID 132851496
(2S)-2-thiophen-2-ylpentan-1-amine
CID 54559295
(2R)-3-cyclopropyl-2-thiophen-2-ylpropan-1-amine
CID 124676129
N-(3-amino-2-thiophen-2-ylpropyl)acetamide
CID 46186346
2-[(1S)-2-nitro-1-thiophen-2-ylethyl]-1,3-diphenylpropane-1,3-dione
CID 154708487
2-methyl-N-[(1R)-2-nitro-1-thiophen-2-ylethyl]propane-2-sulfinamide
CID 169115165
O-(2-nitro-1-thiophen-2-ylethyl) N,N-dimethylcarbamothioate
CID 88792668
N',N'-dipropyl-2-thiophen-2-ylpropane-1,3-diamine
CID 82107436
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
10-[(1R)-2-nitro-1-thiophen-2-ylethyl]-10H-anthracen-9-one
CID 56650717

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3-nitro-2-thiophen-2-ylpropan-1-amine (CID 10726209) is 3-nitro-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3-nitro-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3-nitro-2-thiophen-2-ylpropan-1-amine is NCC(C[N+](=O)[O-])c1cccs1.
What is the InChIKey of 3-nitro-2-thiophen-2-ylpropan-1-amine?
The InChIKey is UKHJFYSCNOIPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c8-4-6(5-9(10)11)7-2-1-3-12-7/h1-3,6H,4-5,8H2.
What are the key properties of 3-nitro-2-thiophen-2-ylpropan-1-amine?
3-nitro-2-thiophen-2-ylpropan-1-amine has a molecular weight of 186.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 10726209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).