N-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide

C14H22N4O3S — CID 95826583

IUPACN-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide
SMILESCNC(=O)CCc1cnc([C@H]2CCCN(S(C)(=O)=O)C2)cn1
InChIInChI=1S/C14H22N4O3S/c1-15-14(19)6-5-12-8-17-13(9-16-12)11-4-3-7-18(10-11)22(2,20)21/h8-9,11H,3-7,10H2,1-2H3,(H,15,19)/t11-/m0/s1
InChIKeyKMUYKPGSJPVKKN-NSHDSACASA-N
MW326.42 g/mol
LogP0.29
Rot. Bonds5

About N-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide

N-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide (PubChem CID 95826583) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide
PubChem CID95826583
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide
SMILESCNC(=O)CCc1cnc([C@H]2CCCN(S(C)(=O)=O)C2)cn1
InChIInChI=1S/C14H22N4O3S/c1-15-14(19)6-5-12-8-17-13(9-16-12)11-4-3-7-18(10-11)22(2,20)21/h8-9,11H,3-7,10H2,1-2H3,(H,15,19)/t11-/m0/s1
InChIKeyKMUYKPGSJPVKKN-NSHDSACASA-N
XLogP0.29
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanamide
CID 110257937
2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110082276
N-methyl-2-[[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-2-pyridinyl]amino]acetamide
CID 95825750
3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid
CID 95804870
2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole
CID 124976826
5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110264018
2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine
CID 110257451
2-(1-ethylpyrazol-4-yl)-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 127246053
2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124994871
3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanoic acid
CID 66510110
2-(1-methylsulfonylpiperidin-3-yl)-5-(1-propylpyrazol-4-yl)pyrazine
CID 110102339
2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124938808

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide?
The IUPAC name of N-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide (CID 95826583) is N-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide.
What is the SMILES notation for N-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide?
The canonical SMILES for N-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide is CNC(=O)CCc1cnc([C@H]2CCCN(S(C)(=O)=O)C2)cn1.
What is the InChIKey of N-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide?
The InChIKey is KMUYKPGSJPVKKN-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-15-14(19)6-5-12-8-17-13(9-16-12)11-4-3-7-18(10-11)22(2,20)21/h8-9,11H,3-7,10H2,1-2H3,(H,15,19)/t11-/m0/s1.
What are the key properties of N-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide?
N-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide 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-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide is sourced from PubChem (CID 95826583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).