2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-3-sulfonamide

C13H18N4O2S2 — CID 106069339

IUPAC2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CNC2CC2)c1S(=O)(=O)NCc1ncc[nH]1
InChIInChI=1S/C13H18N4O2S2/c1-9-8-20-11(6-16-10-2-3-10)13(9)21(18,19)17-7-12-14-4-5-15-12/h4-5,8,10,16-17H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyVSSOZNLMHRYQFX-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.51
Rot. Bonds7

About 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-3-sulfonamide

2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-3-sulfonamide (PubChem CID 106069339) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-3-sulfonamide
PubChem CID106069339
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CNC2CC2)c1S(=O)(=O)NCc1ncc[nH]1
InChIInChI=1S/C13H18N4O2S2/c1-9-8-20-11(6-16-10-2-3-10)13(9)21(18,19)17-7-12-14-4-5-15-12/h4-5,8,10,16-17H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyVSSOZNLMHRYQFX-UHFFFAOYSA-N
XLogP1.51
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-3-sulfonamide (CID 106069339) is 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-3-sulfonamide is Cc1csc(CNC2CC2)c1S(=O)(=O)NCc1ncc[nH]1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is VSSOZNLMHRYQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-9-8-20-11(6-16-10-2-3-10)13(9)21(18,19)17-7-12-14-4-5-15-12/h4-5,8,10,16-17H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-3-sulfonamide?
2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106069339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).