1-methyl-4-(methylsulfamoyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrrole-2-carboxamide

C15H20N4O3S2 — CID 41023169

About 1-methyl-4-(methylsulfamoyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrrole-2-carboxamide

1-methyl-4-(methylsulfamoyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrrole-2-carboxamide (PubChem CID 41023169) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-methyl-4-(methylsulfamoyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-4-(methylsulfamoyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrrole-2-carboxamide
• PubChem CID: 41023169
• Molecular Formula: C15H20N4O3S2
• Molecular Weight: 368.48 g/mol
• Exact Mass: 368.10
• IUPAC Name: 1-methyl-4-(methylsulfamoyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrrole-2-carboxamide
• SMILES: CNS(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)n(C)c1
• InChI: InChI=1S/C15H20N4O3S2/c1-9-4-5-11-13(6-9)23-15(17-11)18-14(20)12-7-10(8-19(12)3)24(21,22)16-2/h7-9,16H,4-6H2,1-3H3,(H,17,18,20)/t9-/m0/s1
• InChIKey: JUBFWPQKNSDQIB-VIFPVBQESA-N
• XLogP: 1.77
• TPSA: 93.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.48
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylsulfamoyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrrole-2-carboxamide?

The IUPAC name of 1-methyl-4-(methylsulfamoyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrrole-2-carboxamide (CID 41023169) is 1-methyl-4-(methylsulfamoyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrrole-2-carboxamide.

What is the SMILES notation for 1-methyl-4-(methylsulfamoyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrrole-2-carboxamide?

The canonical SMILES for 1-methyl-4-(methylsulfamoyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrrole-2-carboxamide is CNS(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)n(C)c1.

What is the InChIKey of 1-methyl-4-(methylsulfamoyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrrole-2-carboxamide?

The InChIKey is JUBFWPQKNSDQIB-VIFPVBQESA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-9-4-5-11-13(6-9)23-15(17-11)18-14(20)12-7-10(8-19(12)3)24(21,22)16-2/h7-9,16H,4-6H2,1-3H3,(H,17,18,20)/t9-/m0/s1.

What are the key properties of 1-methyl-4-(methylsulfamoyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrrole-2-carboxamide?

1-methyl-4-(methylsulfamoyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrrole-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-(methylsulfamoyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 41023169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).