N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide

C10H10N2O2S3 — CID 110518160

IUPACN-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide
SMILESCc1ccsc1/C=N/NS(=O)(=O)c1cccs1
InChIInChI=1S/C10H10N2O2S3/c1-8-4-6-15-9(8)7-11-12-17(13,14)10-3-2-5-16-10/h2-7,12H,1H3/b11-7+
InChIKeyZXLNXQJZXHSRRS-YRNVUSSQSA-N
MW286.40 g/mol
LogP2.43
Rot. Bonds4

About N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide

N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide (PubChem CID 110518160) has the molecular formula C10H10N2O2S3 and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide
PubChem CID110518160
Molecular FormulaC10H10N2O2S3
Molecular Weight286.40 g/mol
Exact Mass285.99
IUPAC NameN-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide
SMILESCc1ccsc1/C=N/NS(=O)(=O)c1cccs1
InChIInChI=1S/C10H10N2O2S3/c1-8-4-6-15-9(8)7-11-12-17(13,14)10-3-2-5-16-10/h2-7,12H,1H3/b11-7+
InChIKeyZXLNXQJZXHSRRS-YRNVUSSQSA-N
XLogP2.43
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6305629
4-ethyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzenesulfonamide
CID 21240194
N-[(E)-(2,6-dichlorophenyl)methylideneamino]thiophene-2-sulfonamide
CID 12704246
N-[(E)-furan-2-ylmethylideneamino]thiophene-2-sulfonamide
CID 12704250
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 136873667
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 136873643
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]thiophene-2-sulfonamide
CID 110518228
N-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 110518275
N-[(E)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 110518258
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 136873641
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 110516904

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide?
The IUPAC name of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide (CID 110518160) is N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide?
The canonical SMILES for N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide is Cc1ccsc1/C=N/NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide?
The InChIKey is ZXLNXQJZXHSRRS-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H10N2O2S3/c1-8-4-6-15-9(8)7-11-12-17(13,14)10-3-2-5-16-10/h2-7,12H,1H3/b11-7+.
What are the key properties of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide?
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide is sourced from PubChem (CID 110518160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).