1-(5-methylpyrazin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine

C13H23N3O2S — CID 105113048

IUPAC1-(5-methylpyrazin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
SMILESCCCNC(CCCS(C)(=O)=O)c1cnc(C)cn1
InChIInChI=1S/C13H23N3O2S/c1-4-7-14-12(6-5-8-19(3,17)18)13-10-15-11(2)9-16-13/h9-10,12,14H,4-8H2,1-3H3
InChIKeyWEPQIUJZTUBVKR-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.65
Rot. Bonds8

About 1-(5-methylpyrazin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine

1-(5-methylpyrazin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine (PubChem CID 105113048) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(5-methylpyrazin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(5-methylpyrazin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
PubChem CID105113048
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-(5-methylpyrazin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
SMILESCCCNC(CCCS(C)(=O)=O)c1cnc(C)cn1
InChIInChI=1S/C13H23N3O2S/c1-4-7-14-12(6-5-8-19(3,17)18)13-10-15-11(2)9-16-13/h9-10,12,14H,4-8H2,1-3H3
InChIKeyWEPQIUJZTUBVKR-UHFFFAOYSA-N
XLogP1.65
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-(5-methylpyrazin-2-yl)-N-propylhexan-1-amine
CID 105177042
1-(2-methylpyrimidin-4-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115530977
4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine
CID 105156337
1-(1,3-dimethylpyrazol-4-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 102803115
N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine
CID 105124396
N-methyl-1-(5-methylpyrazin-2-yl)pentan-1-amine
CID 105125302
N-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105089075
1-(3,5-dichlorophenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820918
1-(2-ethylphenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820254
4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105152621
N-methyl-1-(5-methylpyrazin-2-yl)decan-1-amine
CID 105124065
4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine
CID 65095498

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrazin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine?
The IUPAC name of 1-(5-methylpyrazin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine (CID 105113048) is 1-(5-methylpyrazin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(5-methylpyrazin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(5-methylpyrazin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine is CCCNC(CCCS(C)(=O)=O)c1cnc(C)cn1.
What is the InChIKey of 1-(5-methylpyrazin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine?
The InChIKey is WEPQIUJZTUBVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-7-14-12(6-5-8-19(3,17)18)13-10-15-11(2)9-16-13/h9-10,12,14H,4-8H2,1-3H3.
What are the key properties of 1-(5-methylpyrazin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine?
1-(5-methylpyrazin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrazin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine is sourced from PubChem (CID 105113048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).