5-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide

C11H16N4O2S2 — CID 61439908

IUPAC5-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C11H16N4O2S2/c1-14-7-9(6-13-14)8-15(2)19(16,17)11-4-3-10(5-12)18-11/h3-4,6-7H,5,8,12H2,1-2H3
InChIKeyOVVDIRYOGRKMFI-UHFFFAOYSA-N
MW300.41 g/mol
LogP0.76
Rot. Bonds5

About 5-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide

5-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 61439908) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID61439908
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name5-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C11H16N4O2S2/c1-14-7-9(6-13-14)8-15(2)19(16,17)11-4-3-10(5-12)18-11/h3-4,6-7H,5,8,12H2,1-2H3
InChIKeyOVVDIRYOGRKMFI-UHFFFAOYSA-N
XLogP0.76
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (CID 61439908) is 5-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is CN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is OVVDIRYOGRKMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-14-7-9(6-13-14)8-15(2)19(16,17)11-4-3-10(5-12)18-11/h3-4,6-7H,5,8,12H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
5-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61439908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).