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

C12H18N4O2S2 — CID 61439954

IUPAC5-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C12H18N4O2S2/c1-15-8-10(7-14-15)9-16(2)20(17,18)12-4-3-11(19-12)5-6-13/h3-4,7-8H,5-6,9,13H2,1-2H3
InChIKeyHNRMWWCGTNHTRU-UHFFFAOYSA-N
MW314.44 g/mol
LogP0.80
Rot. Bonds6

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

5-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 61439954) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID61439954
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name5-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C12H18N4O2S2/c1-15-8-10(7-14-15)9-16(2)20(17,18)12-4-3-11(19-12)5-6-13/h3-4,7-8H,5-6,9,13H2,1-2H3
InChIKeyHNRMWWCGTNHTRU-UHFFFAOYSA-N
XLogP0.80
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (CID 61439954) is 5-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is CN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(CCN)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is HNRMWWCGTNHTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-15-8-10(7-14-15)9-16(2)20(17,18)12-4-3-11(19-12)5-6-13/h3-4,7-8H,5-6,9,13H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61439954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).