N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine

C10H17N3O2S — CID 63192034

IUPACN-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1cnccn1
InChIInChI=1S/C10H17N3O2S/c1-11-9(4-3-7-16(2,14)15)10-8-12-5-6-13-10/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyIIWRLSRUTRZCRM-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.56
Rot. Bonds6

About N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine

N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine (PubChem CID 63192034) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
PubChem CID63192034
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1cnccn1
InChIInChI=1S/C10H17N3O2S/c1-11-9(4-3-7-16(2,14)15)10-8-12-5-6-13-10/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyIIWRLSRUTRZCRM-UHFFFAOYSA-N
XLogP0.56
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 63192450
(3R)-3-(methylamino)-3-pyrazin-2-ylpropan-1-ol
CID 96762763
N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 65095551
3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol
CID 62605954
N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
CID 113329542
N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine
CID 63192032
N,4,4-trimethyl-1-pyrazin-2-ylpentan-1-amine
CID 62601001
N-methyl-4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105112912
N-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine
CID 105113544
N-methyl-4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
CID 103126404
N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine
CID 63192027
1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 103444154

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine?
The IUPAC name of N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine (CID 63192034) is N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine.
What is the SMILES notation for N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine?
The canonical SMILES for N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine is CNC(CCCS(C)(=O)=O)c1cnccn1.
What is the InChIKey of N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine?
The InChIKey is IIWRLSRUTRZCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-11-9(4-3-7-16(2,14)15)10-8-12-5-6-13-10/h5-6,8-9,11H,3-4,7H2,1-2H3.
What are the key properties of N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine?
N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine has a molecular weight of 243.33 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine is sourced from PubChem (CID 63192034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).