(NE)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfonamide

C9H13NO2S2 — CID 135073250

IUPAC(NE)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)/N=C/c1cccs1
InChIInChI=1S/C9H13NO2S2/c1-9(2,3)14(11,12)10-7-8-5-4-6-13-8/h4-7H,1-3H3/b10-7+
InChIKeyRUFYMKCSAOHYBJ-JXMROGBWSA-N
MW231.34 g/mol
LogP2.30
Rot. Bonds2

About (NE)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfonamide

(NE)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfonamide (PubChem CID 135073250) has the molecular formula C9H13NO2S2 and a molecular weight of 231.34 g/mol. Its IUPAC name is (NE)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfonamide.

Molecular Properties

Compound Name(NE)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfonamide
PubChem CID135073250
Molecular FormulaC9H13NO2S2
Molecular Weight231.34 g/mol
Exact Mass231.04
IUPAC Name(NE)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)/N=C/c1cccs1
InChIInChI=1S/C9H13NO2S2/c1-9(2,3)14(11,12)10-7-8-5-4-6-13-8/h4-7H,1-3H3/b10-7+
InChIKeyRUFYMKCSAOHYBJ-JXMROGBWSA-N
XLogP2.30
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NE)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfonamide?
The IUPAC name of (NE)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfonamide (CID 135073250) is (NE)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfonamide.
What is the SMILES notation for (NE)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfonamide?
The canonical SMILES for (NE)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfonamide is CC(C)(C)S(=O)(=O)/N=C/c1cccs1.
What is the InChIKey of (NE)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfonamide?
The InChIKey is RUFYMKCSAOHYBJ-JXMROGBWSA-N. The full InChI is InChI=1S/C9H13NO2S2/c1-9(2,3)14(11,12)10-7-8-5-4-6-13-8/h4-7H,1-3H3/b10-7+.
What are the key properties of (NE)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfonamide?
(NE)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfonamide has a molecular weight of 231.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfonamide is sourced from PubChem (CID 135073250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).