N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine

C12H21N3O2S — CID 65095551

IUPACN-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine
SMILESCCNC(CCCS(=O)(=O)CC)c1cnccn1
InChIInChI=1S/C12H21N3O2S/c1-3-14-11(12-10-13-7-8-15-12)6-5-9-18(16,17)4-2/h7-8,10-11,14H,3-6,9H2,1-2H3
InChIKeyYQNSXCFKOYNKFT-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.34
Rot. Bonds8

About N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine

N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine (PubChem CID 65095551) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine
PubChem CID65095551
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine
SMILESCCNC(CCCS(=O)(=O)CC)c1cnccn1
InChIInChI=1S/C12H21N3O2S/c1-3-14-11(12-10-13-7-8-15-12)6-5-9-18(16,17)4-2/h7-8,10-11,14H,3-6,9H2,1-2H3
InChIKeyYQNSXCFKOYNKFT-UHFFFAOYSA-N
XLogP1.34
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 63192034
N-ethyl-N',N'-dimethyl-1-pyrazin-2-ylpropane-1,3-diamine
CID 115346569
N,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine
CID 79087147
N-ethyl-2-propan-2-ylsulfanyl-1-pyrazin-2-ylethanamine
CID 65132126
4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine
CID 65095498
N-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine
CID 65129386
N-ethyl-1-pyrazin-2-yl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549862
2-tert-butylsulfanyl-N-ethyl-1-pyrazin-2-ylethanamine
CID 65132621
N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
CID 102923316
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-pyrazin-2-ylethanamine
CID 105149914
2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 54910869
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 105152645

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine?
The IUPAC name of N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine (CID 65095551) is N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine?
The canonical SMILES for N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine is CCNC(CCCS(=O)(=O)CC)c1cnccn1.
What is the InChIKey of N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine?
The InChIKey is YQNSXCFKOYNKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-14-11(12-10-13-7-8-15-12)6-5-9-18(16,17)4-2/h7-8,10-11,14H,3-6,9H2,1-2H3.
What are the key properties of N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine?
N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine has a molecular weight of 271.39 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine is sourced from PubChem (CID 65095551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).