3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide

C12H18N4OS — CID 96517663

IUPAC3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide
SMILESCS[C@H]1CC[C@H](N(C)C(=O)c2nccnc2N)C1
InChIInChI=1S/C12H18N4OS/c1-16(8-3-4-9(7-8)18-2)12(17)10-11(13)15-6-5-14-10/h5-6,8-9H,3-4,7H2,1-2H3,(H2,13,15)/t8-,9-/m0/s1
InChIKeyPGLYACPQDOBQJE-IUCAKERBSA-N
MW266.37 g/mol
LogP1.41
Rot. Bonds3

About 3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide

3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide (PubChem CID 96517663) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide
PubChem CID96517663
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide
SMILESCS[C@H]1CC[C@H](N(C)C(=O)c2nccnc2N)C1
InChIInChI=1S/C12H18N4OS/c1-16(8-3-4-9(7-8)18-2)12(17)10-11(13)15-6-5-14-10/h5-6,8-9H,3-4,7H2,1-2H3,(H2,13,15)/t8-,9-/m0/s1
InChIKeyPGLYACPQDOBQJE-IUCAKERBSA-N
XLogP1.41
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide
CID 95898425
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 71866658
3-chloro-5-fluoro-2-hydroxy-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 71914679
2-imidazol-1-yl-N,5-dimethyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide
CID 96521731
N-methyl-2-[methyl(propanoyl)amino]-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide
CID 95934248
2-(3,5-dimethylphenoxy)-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]acetamide
CID 96517678
2-(4-methoxyphenyl)-N-methyl-N-(3-methylsulfanylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 71870598
3-[cyclohexyl(methyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270971
2-amino-N-cyclopropyl-3-fluoro-N-methylpyridine-4-carboxamide
CID 105384758
3-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]pyrazine-2-carboxamide
CID 119132594
3-amino-N,N-diethylpyrazine-2-carboxamide
CID 13141221
3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
CID 70099626

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide (CID 96517663) is 3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide is CS[C@H]1CC[C@H](N(C)C(=O)c2nccnc2N)C1.
What is the InChIKey of 3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide?
The InChIKey is PGLYACPQDOBQJE-IUCAKERBSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-16(8-3-4-9(7-8)18-2)12(17)10-11(13)15-6-5-14-10/h5-6,8-9H,3-4,7H2,1-2H3,(H2,13,15)/t8-,9-/m0/s1.
What are the key properties of 3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide?
3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide is sourced from PubChem (CID 96517663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).