6-chloro-N-(1-ethylsulfonylpropan-2-yl)-N-methylpyrazin-2-amine

C10H16ClN3O2S — CID 71996468

IUPAC6-chloro-N-(1-ethylsulfonylpropan-2-yl)-N-methylpyrazin-2-amine
SMILESCCS(=O)(=O)CC(C)N(C)c1cncc(Cl)n1
InChIInChI=1S/C10H16ClN3O2S/c1-4-17(15,16)7-8(2)14(3)10-6-12-5-9(11)13-10/h5-6,8H,4,7H2,1-3H3
InChIKeyGWUZSEHFAAKCAA-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.39
Rot. Bonds5

About 6-chloro-N-(1-ethylsulfonylpropan-2-yl)-N-methylpyrazin-2-amine

6-chloro-N-(1-ethylsulfonylpropan-2-yl)-N-methylpyrazin-2-amine (PubChem CID 71996468) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is 6-chloro-N-(1-ethylsulfonylpropan-2-yl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(1-ethylsulfonylpropan-2-yl)-N-methylpyrazin-2-amine
PubChem CID71996468
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC Name6-chloro-N-(1-ethylsulfonylpropan-2-yl)-N-methylpyrazin-2-amine
SMILESCCS(=O)(=O)CC(C)N(C)c1cncc(Cl)n1
InChIInChI=1S/C10H16ClN3O2S/c1-4-17(15,16)7-8(2)14(3)10-6-12-5-9(11)13-10/h5-6,8H,4,7H2,1-3H3
InChIKeyGWUZSEHFAAKCAA-UHFFFAOYSA-N
XLogP1.39
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-ethylsulfonylpropan-2-yl)-N-methylpyrazin-2-amine?
The IUPAC name of 6-chloro-N-(1-ethylsulfonylpropan-2-yl)-N-methylpyrazin-2-amine (CID 71996468) is 6-chloro-N-(1-ethylsulfonylpropan-2-yl)-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(1-ethylsulfonylpropan-2-yl)-N-methylpyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(1-ethylsulfonylpropan-2-yl)-N-methylpyrazin-2-amine is CCS(=O)(=O)CC(C)N(C)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(1-ethylsulfonylpropan-2-yl)-N-methylpyrazin-2-amine?
The InChIKey is GWUZSEHFAAKCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-4-17(15,16)7-8(2)14(3)10-6-12-5-9(11)13-10/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 6-chloro-N-(1-ethylsulfonylpropan-2-yl)-N-methylpyrazin-2-amine?
6-chloro-N-(1-ethylsulfonylpropan-2-yl)-N-methylpyrazin-2-amine has a molecular weight of 277.78 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-ethylsulfonylpropan-2-yl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 71996468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).