(2R)-1-[(3-nitrothiophen-2-yl)amino]propan-2-ol

C7H10N2O3S — CID 130639223

IUPAC(2R)-1-[(3-nitrothiophen-2-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNc1sccc1[N+](=O)[O-]
InChIInChI=1S/C7H10N2O3S/c1-5(10)4-8-7-6(9(11)12)2-3-13-7/h2-3,5,8,10H,4H2,1H3/t5-/m1/s1
InChIKeyGIQMGHVGDQDWFH-RXMQYKEDSA-N
MW202.24 g/mol
LogP1.45
Rot. Bonds4

About (2R)-1-[(3-nitrothiophen-2-yl)amino]propan-2-ol

(2R)-1-[(3-nitrothiophen-2-yl)amino]propan-2-ol (PubChem CID 130639223) has the molecular formula C7H10N2O3S and a molecular weight of 202.24 g/mol. Its IUPAC name is (2R)-1-[(3-nitrothiophen-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3-nitrothiophen-2-yl)amino]propan-2-ol
PubChem CID130639223
Molecular FormulaC7H10N2O3S
Molecular Weight202.24 g/mol
Exact Mass202.04
IUPAC Name(2R)-1-[(3-nitrothiophen-2-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNc1sccc1[N+](=O)[O-]
InChIInChI=1S/C7H10N2O3S/c1-5(10)4-8-7-6(9(11)12)2-3-13-7/h2-3,5,8,10H,4H2,1H3/t5-/m1/s1
InChIKeyGIQMGHVGDQDWFH-RXMQYKEDSA-N
XLogP1.45
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 51.45
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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Related Compounds

N-but-3-ynyl-3-nitrothiophen-2-amine
CID 131002673
1-(2-methyl-3-nitroanilino)propan-2-ol
CID 63076222
(2R)-1-(4-nitroanilino)propan-2-ol
CID 7601843
1-(2-chloro-6-nitroanilino)propan-2-ol
CID 62085143
2-(2-aminoethoxymethyl)-6-(2-hydroxypropylamino)-3-nitrophenol
CID 22734875
(2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol
CID 93033289
1-[2-[4-nitro-3-(trifluoromethyl)anilino]ethylamino]propan-2-ol
CID 104594276
1-[2-(5-methoxy-2-nitroanilino)ethylamino]propan-2-ol
CID 104594309
1-[4-(2-hydroxyethylamino)-3-nitroanilino]propan-2-ol
CID 57222798
3-nitro-N-(4-pyridin-4-ylbutyl)thiophen-2-amine
CID 166307000
1-(3-nitroanilino)propan-2-ol
CID 43500225
(2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol
CID 103906316

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-nitrothiophen-2-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(3-nitrothiophen-2-yl)amino]propan-2-ol (CID 130639223) is (2R)-1-[(3-nitrothiophen-2-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(3-nitrothiophen-2-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(3-nitrothiophen-2-yl)amino]propan-2-ol is C[C@@H](O)CNc1sccc1[N+](=O)[O-].
What is the InChIKey of (2R)-1-[(3-nitrothiophen-2-yl)amino]propan-2-ol?
The InChIKey is GIQMGHVGDQDWFH-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-5(10)4-8-7-6(9(11)12)2-3-13-7/h2-3,5,8,10H,4H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-1-[(3-nitrothiophen-2-yl)amino]propan-2-ol?
(2R)-1-[(3-nitrothiophen-2-yl)amino]propan-2-ol has a molecular weight of 202.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3-nitrothiophen-2-yl)amino]propan-2-ol is sourced from PubChem (CID 130639223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).