N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

C18H27N3O2S3 — CID 95058242

About N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 95058242) has the molecular formula C18H27N3O2S3 and a molecular weight of 413.63 g/mol. Its IUPAC name is N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
• PubChem CID: 95058242
• Molecular Formula: C18H27N3O2S3
• Molecular Weight: 413.63 g/mol
• Exact Mass: 413.13
• IUPAC Name: N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
• SMILES: CC(C)c1csc(-c2ccc(S(=O)(=O)NCCN3CCCC[C@H]3C)s2)n1
• InChI: InChI=1S/C18H27N3O2S3/c1-13(2)15-12-24-18(20-15)16-7-8-17(25-16)26(22,23)19-9-11-21-10-5-4-6-14(21)3/h7-8,12-14,19H,4-6,9-11H2,1-3H3/t14-/m1/s1
• InChIKey: SQEWQMPDYGBHLV-CQSZACIVSA-N
• XLogP: 4.15
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.63
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?

The IUPAC name of N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (CID 95058242) is N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.

What is the SMILES notation for N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?

The canonical SMILES for N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is CC(C)c1csc(-c2ccc(S(=O)(=O)NCCN3CCCC[C@H]3C)s2)n1.

What is the InChIKey of N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?

The InChIKey is SQEWQMPDYGBHLV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N3O2S3/c1-13(2)15-12-24-18(20-15)16-7-8-17(25-16)26(22,23)19-9-11-21-10-5-4-6-14(21)3/h7-8,12-14,19H,4-6,9-11H2,1-3H3/t14-/m1/s1.

What are the key properties of N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?

N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 413.63 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 95058242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).