(5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine

C8H12N4O5S2 — CID 80742394

IUPAC(5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine
SMILESNNc1sc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C8H12N4O5S2/c9-10-8-6(12(13)14)5-7(18-8)19(15,16)11-1-3-17-4-2-11/h5,10H,1-4,9H2
InChIKeyWLQKTTCGNFAKNG-UHFFFAOYSA-N
MW308.34 g/mol
LogP-0.04
Rot. Bonds4

About (5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine

(5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine (PubChem CID 80742394) has the molecular formula C8H12N4O5S2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine.

Molecular Properties

Compound Name(5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine
PubChem CID80742394
Molecular FormulaC8H12N4O5S2
Molecular Weight308.34 g/mol
Exact Mass308.02
IUPAC Name(5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine
SMILESNNc1sc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C8H12N4O5S2/c9-10-8-6(12(13)14)5-7(18-8)19(15,16)11-1-3-17-4-2-11/h5,10H,1-4,9H2
InChIKeyWLQKTTCGNFAKNG-UHFFFAOYSA-N
XLogP-0.04
TPSA127.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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
5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 80744883
(4-morpholin-4-ylsulfonyl-3-nitrophenyl)hydrazine
CID 43325275
[5-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-3-nitrothiophen-2-yl]hydrazine
CID 80745555
N-methyl-5-(3-methylmorpholin-4-yl)sulfonyl-3-nitrothiophen-2-amine
CID 80746916
3-nitro-5-piperidin-1-ylsulfonyl-N-propylthiophen-2-amine
CID 80746136
5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-3-nitrothiophen-2-amine
CID 80747585
5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide
CID 83016233
1-(3-nitro-5-piperidin-1-ylsulfonylthiophen-2-yl)piperidine
CID 18445941
5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 80741793
4-(3-chloro-4-nitrophenyl)sulfonylmorpholine
CID 2380547

Frequently Asked Questions

What is the IUPAC name of (5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine?
The IUPAC name of (5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine (CID 80742394) is (5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine.
What is the SMILES notation for (5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine?
The canonical SMILES for (5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine is NNc1sc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-].
What is the InChIKey of (5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine?
The InChIKey is WLQKTTCGNFAKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O5S2/c9-10-8-6(12(13)14)5-7(18-8)19(15,16)11-1-3-17-4-2-11/h5,10H,1-4,9H2.
What are the key properties of (5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine?
(5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine has a molecular weight of 308.34 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine is sourced from PubChem (CID 80742394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).