(S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride

C9H9ClN2O2S2 — CID 171236339

IUPAC(S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C9H8N2O2S2.ClH/c10-9(6-1-2-14-4-6)7-3-8(11(12)13)15-5-7;/h1-5,9H,10H2;1H/t9-;/m0./s1
InChIKeyBDFLXSYNDAZVDZ-FVGYRXGTSA-N
MW276.77 g/mol
LogP3.19
Rot. Bonds3

About (S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride

(S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171236339) has the molecular formula C9H9ClN2O2S2 and a molecular weight of 276.77 g/mol. Its IUPAC name is (S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171236339
Molecular FormulaC9H9ClN2O2S2
Molecular Weight276.77 g/mol
Exact Mass275.98
IUPAC Name(S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C9H8N2O2S2.ClH/c10-9(6-1-2-14-4-6)7-3-8(11(12)13)15-5-7;/h1-5,9H,10H2;1H/t9-;/m0./s1
InChIKeyBDFLXSYNDAZVDZ-FVGYRXGTSA-N
XLogP3.19
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.19
H-Bond Donors ≤ 51
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

(S)-(4-nitrophenyl)-thiophen-3-ylmethanamine
CID 171198265
(R)-(2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171217826
(R)-(4-methyl-3-nitrophenyl)-thiophen-3-ylmethanamine
CID 171226532
(1S)-2,2-dimethyl-1-(5-nitrothiophen-3-yl)propan-1-amine
CID 131101321
(S)-(5-fluoro-2-nitrophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171206031
(2S)-2-amino-2-(5-nitrothiophen-3-yl)acetonitrile
CID 131128756
(3R)-3-amino-3-(5-nitrothiophen-3-yl)propan-1-ol;hydrochloride
CID 171216718
(R)-(6-nitro-1,3-benzodioxol-5-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171228084
(R)-cyclopropyl-(5-nitrothiophen-3-yl)methanamine
CID 131198377
(R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine
CID 171225553
(1R)-1-(5-nitrothiophen-3-yl)but-3-en-1-amine;hydrochloride
CID 171216682
(1S)-3-fluoro-1-(5-nitrothiophen-3-yl)propan-1-amine
CID 171236331

Frequently Asked Questions

What is the IUPAC name of (S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride (CID 171236339) is (S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride is Cl.N[C@@H](c1ccsc1)c1csc([N+](=O)[O-])c1.
What is the InChIKey of (S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is BDFLXSYNDAZVDZ-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H8N2O2S2.ClH/c10-9(6-1-2-14-4-6)7-3-8(11(12)13)15-5-7;/h1-5,9H,10H2;1H/t9-;/m0./s1.
What are the key properties of (S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride?
(S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 276.77 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(5-nitrothiophen-3-yl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171236339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).