2-N,2-dimethyl-3H-thiophene-2,5-disulfonamide

C6H12N2O4S3 — CID 175714123

IUPAC2-N,2-dimethyl-3H-thiophene-2,5-disulfonamide
SMILESCNS(=O)(=O)C1(C)CC=C(S(N)(=O)=O)S1
InChIInChI=1S/C6H12N2O4S3/c1-6(15(11,12)8-2)4-3-5(13-6)14(7,9)10/h3,8H,4H2,1-2H3,(H2,7,9,10)
InChIKeyLOUXFXWOXSUXFB-UHFFFAOYSA-N
MW272.37 g/mol
LogP-0.48
Rot. Bonds3

About 2-N,2-dimethyl-3H-thiophene-2,5-disulfonamide

2-N,2-dimethyl-3H-thiophene-2,5-disulfonamide (PubChem CID 175714123) has the molecular formula C6H12N2O4S3 and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-N,2-dimethyl-3H-thiophene-2,5-disulfonamide.

Molecular Properties

Compound Name2-N,2-dimethyl-3H-thiophene-2,5-disulfonamide
PubChem CID175714123
Molecular FormulaC6H12N2O4S3
Molecular Weight272.37 g/mol
Exact Mass272.00
IUPAC Name2-N,2-dimethyl-3H-thiophene-2,5-disulfonamide
SMILESCNS(=O)(=O)C1(C)CC=C(S(N)(=O)=O)S1
InChIInChI=1S/C6H12N2O4S3/c1-6(15(11,12)8-2)4-3-5(13-6)14(7,9)10/h3,8H,4H2,1-2H3,(H2,7,9,10)
InChIKeyLOUXFXWOXSUXFB-UHFFFAOYSA-N
XLogP-0.48
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-3H-thiophene-2,5-disulfonamide?
The IUPAC name of 2-N,2-dimethyl-3H-thiophene-2,5-disulfonamide (CID 175714123) is 2-N,2-dimethyl-3H-thiophene-2,5-disulfonamide.
What is the SMILES notation for 2-N,2-dimethyl-3H-thiophene-2,5-disulfonamide?
The canonical SMILES for 2-N,2-dimethyl-3H-thiophene-2,5-disulfonamide is CNS(=O)(=O)C1(C)CC=C(S(N)(=O)=O)S1.
What is the InChIKey of 2-N,2-dimethyl-3H-thiophene-2,5-disulfonamide?
The InChIKey is LOUXFXWOXSUXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S3/c1-6(15(11,12)8-2)4-3-5(13-6)14(7,9)10/h3,8H,4H2,1-2H3,(H2,7,9,10).
What are the key properties of 2-N,2-dimethyl-3H-thiophene-2,5-disulfonamide?
2-N,2-dimethyl-3H-thiophene-2,5-disulfonamide has a molecular weight of 272.37 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-3H-thiophene-2,5-disulfonamide is sourced from PubChem (CID 175714123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).