N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide

C11H17N3O4S2 — CID 80746261

IUPACN-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
SMILESCCNc1sc(S(=O)(=O)NC2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O4S2/c1-2-12-11-9(14(15)16)7-10(19-11)20(17,18)13-8-5-3-4-6-8/h7-8,12-13H,2-6H2,1H3
InChIKeyUNWJGTGXGWYFDA-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.31
Rot. Bonds6

About N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide

N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide (PubChem CID 80746261) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
PubChem CID80746261
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC NameN-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
SMILESCCNc1sc(S(=O)(=O)NC2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O4S2/c1-2-12-11-9(14(15)16)7-10(19-11)20(17,18)13-8-5-3-4-6-8/h7-8,12-13H,2-6H2,1H3
InChIKeyUNWJGTGXGWYFDA-UHFFFAOYSA-N
XLogP2.31
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-(2-cyclopropylethyl)-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
CID 80747604
5-(ethylamino)-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80746591
5-(ethylamino)-4-nitro-N-phenylthiophene-2-sulfonamide
CID 80744740
5-(ethylamino)-N-hexan-3-yl-4-nitrothiophene-2-sulfonamide
CID 80730755
5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 80742192
5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide
CID 83016233
5-(ethylamino)-N-(2-methylsulfanylethyl)-4-nitrothiophene-2-sulfonamide
CID 80746711
3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide
CID 80747104
5-(ethylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 80731137
N-cycloheptyl-5-methylsulfonyl-3-nitrothiophen-2-amine
CID 133423964
N-[2-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]ethyl]acetamide
CID 80730943
5-(ethylamino)-4-nitro-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 80747085

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide (CID 80746261) is N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide is CCNc1sc(S(=O)(=O)NC2CCCC2)cc1[N+](=O)[O-].
What is the InChIKey of N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide?
The InChIKey is UNWJGTGXGWYFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-2-12-11-9(14(15)16)7-10(19-11)20(17,18)13-8-5-3-4-6-8/h7-8,12-13H,2-6H2,1H3.
What are the key properties of N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide?
N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide has a molecular weight of 319.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80746261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).