N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide

C16H26N4OS — CID 124852369

IUPACN-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide
SMILESC[C@@H](Cc1cnccn1)N(C)C(=O)CSCCN1CCCC1
InChIInChI=1S/C16H26N4OS/c1-14(11-15-12-17-5-6-18-15)19(2)16(21)13-22-10-9-20-7-3-4-8-20/h5-6,12,14H,3-4,7-11,13H2,1-2H3/t14-/m0/s1
InChIKeyURBYFMZCUQLGRG-AWEZNQCLSA-N
MW322.48 g/mol
LogP1.70
Rot. Bonds8

About N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide

N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide (PubChem CID 124852369) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide
PubChem CID124852369
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC NameN-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide
SMILESC[C@@H](Cc1cnccn1)N(C)C(=O)CSCCN1CCCC1
InChIInChI=1S/C16H26N4OS/c1-14(11-15-12-17-5-6-18-15)19(2)16(21)13-22-10-9-20-7-3-4-8-20/h5-6,12,14H,3-4,7-11,13H2,1-2H3/t14-/m0/s1
InChIKeyURBYFMZCUQLGRG-AWEZNQCLSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide?
The IUPAC name of N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide (CID 124852369) is N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide.
What is the SMILES notation for N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide?
The canonical SMILES for N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide is C[C@@H](Cc1cnccn1)N(C)C(=O)CSCCN1CCCC1.
What is the InChIKey of N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide?
The InChIKey is URBYFMZCUQLGRG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-14(11-15-12-17-5-6-18-15)19(2)16(21)13-22-10-9-20-7-3-4-8-20/h5-6,12,14H,3-4,7-11,13H2,1-2H3/t14-/m0/s1.
What are the key properties of N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide?
N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide has a molecular weight of 322.48 g/mol, XLogP of 1.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide is sourced from PubChem (CID 124852369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).