N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfinylbutan-2-amine

C12H21N3OS — CID 102613035

IUPACN-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfinylbutan-2-amine
SMILESCc1nccnc1C(C)NC(C)CCS(C)=O
InChIInChI=1S/C12H21N3OS/c1-9(5-8-17(4)16)15-11(3)12-10(2)13-6-7-14-12/h6-7,9,11,15H,5,8H2,1-4H3
InChIKeyBQHOCXRYLLPEFE-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.59
Rot. Bonds6

About N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfinylbutan-2-amine

N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfinylbutan-2-amine (PubChem CID 102613035) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfinylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfinylbutan-2-amine
PubChem CID102613035
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfinylbutan-2-amine
SMILESCc1nccnc1C(C)NC(C)CCS(C)=O
InChIInChI=1S/C12H21N3OS/c1-9(5-8-17(4)16)15-11(3)12-10(2)13-6-7-14-12/h6-7,9,11,15H,5,8H2,1-4H3
InChIKeyBQHOCXRYLLPEFE-UHFFFAOYSA-N
XLogP1.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 102612776
N-[1-(3-methylpyrazin-2-yl)ethyl]hexan-3-amine
CID 102612956
N-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612714
N-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 102612502
N-[1-(2-bromophenyl)ethyl]-4-methylsulfinylbutan-2-amine
CID 115893189
3-methyl-2-[1-(3-methylpyrazin-2-yl)ethylamino]butanoic acid
CID 114080328
N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylsulfinylbutan-2-amine
CID 115893267
3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one
CID 115715184
4-methylsulfinyl-N-[phenyl(pyridin-4-yl)methyl]butan-2-amine
CID 115972889
1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 102612282
1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one
CID 115689371
4-methylsulfinyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]butan-2-amine
CID 115893114

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfinylbutan-2-amine?
The IUPAC name of N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfinylbutan-2-amine (CID 102613035) is N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfinylbutan-2-amine.
What is the SMILES notation for N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfinylbutan-2-amine?
The canonical SMILES for N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfinylbutan-2-amine is Cc1nccnc1C(C)NC(C)CCS(C)=O.
What is the InChIKey of N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfinylbutan-2-amine?
The InChIKey is BQHOCXRYLLPEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9(5-8-17(4)16)15-11(3)12-10(2)13-6-7-14-12/h6-7,9,11,15H,5,8H2,1-4H3.
What are the key properties of N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfinylbutan-2-amine?
N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfinylbutan-2-amine has a molecular weight of 255.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylpyrazin-2-yl)ethyl]-4-methylsulfinylbutan-2-amine is sourced from PubChem (CID 102613035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).