[5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-3-nitrothiophen-2-yl]hydrazine

C10H14N4O4S2 — CID 80745555

IUPAC[5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-3-nitrothiophen-2-yl]hydrazine
SMILESNNc1sc(S(=O)(=O)N2CC3CCC2C3)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4S2/c11-12-10-8(14(15)16)4-9(19-10)20(17,18)13-5-6-1-2-7(13)3-6/h4,6-7,12H,1-3,5,11H2
InChIKeyCKHWPXMOLUITOY-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.11
Rot. Bonds4

About [5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-3-nitrothiophen-2-yl]hydrazine

[5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-3-nitrothiophen-2-yl]hydrazine (PubChem CID 80745555) has the molecular formula C10H14N4O4S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is [5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-3-nitrothiophen-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-3-nitrothiophen-2-yl]hydrazine
PubChem CID80745555
Molecular FormulaC10H14N4O4S2
Molecular Weight318.38 g/mol
Exact Mass318.05
IUPAC Name[5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-3-nitrothiophen-2-yl]hydrazine
SMILESNNc1sc(S(=O)(=O)N2CC3CCC2C3)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4S2/c11-12-10-8(14(15)16)4-9(19-10)20(17,18)13-5-6-1-2-7(13)3-6/h4,6-7,12H,1-3,5,11H2
InChIKeyCKHWPXMOLUITOY-UHFFFAOYSA-N
XLogP1.11
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-N-methyl-3-nitrothiophen-2-amine
CID 80731437
(5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine
CID 80742394
1-(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonyl-1,4-diazepan-5-one
CID 80744776
5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 80742192
3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-N-methyl-4-nitroaniline
CID 62158787
5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 80744883
5-hydrazinyl-N-methyl-4-nitro-N-(thiolan-3-yl)thiophene-2-sulfonamide
CID 80741598
5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 80741793
5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80741993
5-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-methyl-3-nitrothiophen-2-amine
CID 80744932
5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide
CID 80736252
N-methyl-5-(3-methylmorpholin-4-yl)sulfonyl-3-nitrothiophen-2-amine
CID 80746916

Frequently Asked Questions

What is the IUPAC name of [5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-3-nitrothiophen-2-yl]hydrazine?
The IUPAC name of [5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-3-nitrothiophen-2-yl]hydrazine (CID 80745555) is [5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-3-nitrothiophen-2-yl]hydrazine.
What is the SMILES notation for [5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-3-nitrothiophen-2-yl]hydrazine?
The canonical SMILES for [5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-3-nitrothiophen-2-yl]hydrazine is NNc1sc(S(=O)(=O)N2CC3CCC2C3)cc1[N+](=O)[O-].
What is the InChIKey of [5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-3-nitrothiophen-2-yl]hydrazine?
The InChIKey is CKHWPXMOLUITOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S2/c11-12-10-8(14(15)16)4-9(19-10)20(17,18)13-5-6-1-2-7(13)3-6/h4,6-7,12H,1-3,5,11H2.
What are the key properties of [5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-3-nitrothiophen-2-yl]hydrazine?
[5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-3-nitrothiophen-2-yl]hydrazine has a molecular weight of 318.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-3-nitrothiophen-2-yl]hydrazine is sourced from PubChem (CID 80745555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).