N-(cyclopropylmethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide

C14H22N4O3S — CID 124910371

About N-(cyclopropylmethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide

N-(cyclopropylmethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide (PubChem CID 124910371) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide
• PubChem CID: 124910371
• Molecular Formula: C14H22N4O3S
• Molecular Weight: 326.42 g/mol
• Exact Mass: 326.14
• IUPAC Name: N-(cyclopropylmethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide
• SMILES: C[C@H]1c2nc(CC(=O)NCC3CC3)cn2CCN1S(C)(=O)=O
• InChI: InChI=1S/C14H22N4O3S/c1-10-14-16-12(7-13(19)15-8-11-3-4-11)9-17(14)5-6-18(10)22(2,20)21/h9-11H,3-8H2,1-2H3,(H,15,19)/t10-/m0/s1
• InChIKey: NLGFHWPSYYFRTP-JTQLQIEISA-N
• XLogP: 0.29
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.42
LogP ≤ 5	0.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide?

The IUPAC name of N-(cyclopropylmethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide (CID 124910371) is N-(cyclopropylmethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide.

What is the SMILES notation for N-(cyclopropylmethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide?

The canonical SMILES for N-(cyclopropylmethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide is C[C@H]1c2nc(CC(=O)NCC3CC3)cn2CCN1S(C)(=O)=O.

What is the InChIKey of N-(cyclopropylmethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide?

The InChIKey is NLGFHWPSYYFRTP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-10-14-16-12(7-13(19)15-8-11-3-4-11)9-17(14)5-6-18(10)22(2,20)21/h9-11H,3-8H2,1-2H3,(H,15,19)/t10-/m0/s1.

What are the key properties of N-(cyclopropylmethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide?

N-(cyclopropylmethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide has a molecular weight of 326.42 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide is sourced from PubChem (CID 124910371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).