N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

C18H24N4O3S2 — CID 7759477

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 7759477) has the molecular formula C18H24N4O3S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
• PubChem CID: 7759477
• Molecular Formula: C18H24N4O3S2
• Molecular Weight: 408.55 g/mol
• Exact Mass: 408.13
• IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
• SMILES: C[C@@](C#N)(NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)C1CC1
• InChI: InChI=1S/C18H24N4O3S2/c1-18(13-19,14-5-6-14)21-16(23)12-26-17-8-7-15(11-20-17)27(24,25)22-9-3-2-4-10-22/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,21,23)/t18-/m0/s1
• InChIKey: WHNGMHSNNRCRRT-SFHVURJKSA-N
• XLogP: 2.16
• TPSA: 103.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.55
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?

The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (CID 7759477) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.

What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?

The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is C[C@@](C#N)(NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)C1CC1.

What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?

The InChIKey is WHNGMHSNNRCRRT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N4O3S2/c1-18(13-19,14-5-6-14)21-16(23)12-26-17-8-7-15(11-20-17)27(24,25)22-9-3-2-4-10-22/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,21,23)/t18-/m0/s1.

What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 408.55 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 7759477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).