N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide

C15H18N6OS — CID 99971826

IUPACN-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)N[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C15H18N6OS/c22-14(11-23-15-18-4-2-5-19-15)20-12-3-1-8-21(10-12)13-9-16-6-7-17-13/h2,4-7,9,12H,1,3,8,10-11H2,(H,20,22)/t12-/m0/s1
InChIKeyAANOXXUZPQWVMB-LBPRGKRZSA-N
MW330.42 g/mol
LogP1.14
Rot. Bonds5

About N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide

N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 99971826) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID99971826
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC NameN-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)N[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C15H18N6OS/c22-14(11-23-15-18-4-2-5-19-15)20-12-3-1-8-21(10-12)13-9-16-6-7-17-13/h2,4-7,9,12H,1,3,8,10-11H2,(H,20,22)/t12-/m0/s1
InChIKeyAANOXXUZPQWVMB-LBPRGKRZSA-N
XLogP1.14
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,5-dioxoimidazolidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 77096885
2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 118782684
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 99981987
(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433
3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide
CID 90648731
2-(2-methylbenzimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 119072189
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 99990589
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 90653061
N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 91789394
3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide
CID 77087086
4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126448073
3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126433211

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide (CID 99971826) is N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)N[C@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is AANOXXUZPQWVMB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N6OS/c22-14(11-23-15-18-4-2-5-19-15)20-12-3-1-8-21(10-12)13-9-16-6-7-17-13/h2,4-7,9,12H,1,3,8,10-11H2,(H,20,22)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide?
N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 330.42 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 99971826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).