5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide

C10H16N4O5S2 — CID 80736252

IUPAC5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1)C1CCCO1
InChIInChI=1S/C10H16N4O5S2/c1-6(8-3-2-4-19-8)13-21(17,18)9-5-7(14(15)16)10(12-11)20-9/h5-6,8,12-13H,2-4,11H2,1H3
InChIKeyKHRFFVRZWYEVON-UHFFFAOYSA-N
MW336.40 g/mol
LogP0.79
Rot. Bonds6

About 5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide

5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 80736252) has the molecular formula C10H16N4O5S2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID80736252
Molecular FormulaC10H16N4O5S2
Molecular Weight336.40 g/mol
Exact Mass336.06
IUPAC Name5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1)C1CCCO1
InChIInChI=1S/C10H16N4O5S2/c1-6(8-3-2-4-19-8)13-21(17,18)9-5-7(14(15)16)10(12-11)20-9/h5-6,8,12-13H,2-4,11H2,1H3
InChIKeyKHRFFVRZWYEVON-UHFFFAOYSA-N
XLogP0.79
TPSA136.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 50.79
H-Bond Donors ≤ 53
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

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-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 80742192
2-amino-5-nitro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 62146601
5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 80744883
4-hydrazinyl-2,6-dimethyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 107327853
2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 80735155
2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 43533896
3-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62680373
5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide
CID 80742232
4-nitro-3-[1-(oxolan-2-yl)ethylamino]benzamide
CID 82995799
3-hydrazinyl-N-[1-(oxolan-2-yl)ethyl]pyridine-2-sulfonamide
CID 103300982

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide (CID 80736252) is 5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide is CC(NS(=O)(=O)c1cc([N+](=O)[O-])c(NN)s1)C1CCCO1.
What is the InChIKey of 5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is KHRFFVRZWYEVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5S2/c1-6(8-3-2-4-19-8)13-21(17,18)9-5-7(14(15)16)10(12-11)20-9/h5-6,8,12-13H,2-4,11H2,1H3.
What are the key properties of 5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide?
5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 336.40 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 80736252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).