2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine

C7H12N4O2S — CID 80653348

IUPAC2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine
SMILESCS(=O)(=O)CCNc1cnc(N)cn1
InChIInChI=1S/C7H12N4O2S/c1-14(12,13)3-2-9-7-5-10-6(8)4-11-7/h4-5H,2-3H2,1H3,(H2,8,10)(H,9,11)
InChIKeyBXSYUGXUPURKSD-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.48
Rot. Bonds4

About 2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine

2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine (PubChem CID 80653348) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine
PubChem CID80653348
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine
SMILESCS(=O)(=O)CCNc1cnc(N)cn1
InChIInChI=1S/C7H12N4O2S/c1-14(12,13)3-2-9-7-5-10-6(8)4-11-7/h4-5H,2-3H2,1H3,(H2,8,10)(H,9,11)
InChIKeyBXSYUGXUPURKSD-UHFFFAOYSA-N
XLogP-0.48
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylsulfonylethyl)pyrazin-2-amine
CID 60919263
5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine
CID 114475378
5-fluoro-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 61313739
2-N-hexylpyrazine-2,5-diamine
CID 80652876
2-N-octylpyrazine-2,5-diamine
CID 115565252
4-[(5-aminopyrazin-2-yl)amino]butanamide
CID 80652340
ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate
CID 80653355
2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80791666
6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol
CID 107855093
ethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate
CID 80653247
2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine
CID 102908730
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80790691

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine?
The IUPAC name of 2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine (CID 80653348) is 2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine?
The canonical SMILES for 2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine is CS(=O)(=O)CCNc1cnc(N)cn1.
What is the InChIKey of 2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine?
The InChIKey is BXSYUGXUPURKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-14(12,13)3-2-9-7-5-10-6(8)4-11-7/h4-5H,2-3H2,1H3,(H2,8,10)(H,9,11).
What are the key properties of 2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine?
2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine has a molecular weight of 216.27 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine is sourced from PubChem (CID 80653348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).