(3S)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol

C7H10N2O3S — CID 171236353

IUPAC(3S)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol
SMILESN[C@@H](CCO)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C7H10N2O3S/c8-6(1-2-10)5-3-7(9(11)12)13-4-5/h3-4,6,10H,1-2,8H2/t6-/m0/s1
InChIKeyHFGRKLNBJYPXEL-LURJTMIESA-N
MW202.23 g/mol
LogP1.04
Rot. Bonds4

About (3S)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol

(3S)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol (PubChem CID 171236353) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is (3S)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol
PubChem CID171236353
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name(3S)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol
SMILESN[C@@H](CCO)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C7H10N2O3S/c8-6(1-2-10)5-3-7(9(11)12)13-4-5/h3-4,6,10H,1-2,8H2/t6-/m0/s1
InChIKeyHFGRKLNBJYPXEL-LURJTMIESA-N
XLogP1.04
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
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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Related Compounds

(3R)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol;hydrochloride
CID 171216718
(1S)-3-fluoro-1-(5-nitrothiophen-3-yl)propan-1-amine
CID 171236331
(1R)-4,4,4-trifluoro-1-(5-nitrothiophen-3-yl)butan-1-amine;hydrochloride
CID 171216694
(1R)-1-(5-nitrothiophen-3-yl)hexan-1-amine;hydrochloride
CID 171216686
(1R)-1-(5-nitrothiophen-3-yl)pent-4-en-1-amine;hydrochloride
CID 171216705
(3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile
CID 130987742
(1R)-1-(5-nitrothiophen-3-yl)but-3-en-1-amine;hydrochloride
CID 171216682
(1S)-2,2-dimethyl-1-(5-nitrothiophen-3-yl)propan-1-amine
CID 131101321
(2S)-2-amino-2-(5-nitrothiophen-3-yl)acetonitrile
CID 131128756
(R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine
CID 131198377
(3R)-3-amino-3-(4-nitrophenyl)propan-1-ol;hydrochloride
CID 171198277
5-amino-4-(5-nitrothiophen-3-yl)pentan-2-ol
CID 81422473

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol?
The IUPAC name of (3S)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol (CID 171236353) is (3S)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol is N[C@@H](CCO)c1csc([N+](=O)[O-])c1.
What is the InChIKey of (3S)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol?
The InChIKey is HFGRKLNBJYPXEL-LURJTMIESA-N. The full InChI is InChI=1S/C7H10N2O3S/c8-6(1-2-10)5-3-7(9(11)12)13-4-5/h3-4,6,10H,1-2,8H2/t6-/m0/s1.
What are the key properties of (3S)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol?
(3S)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol has a molecular weight of 202.23 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 (3S)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol is sourced from PubChem (CID 171236353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).