2-(cyclopropylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanamide

C12H18N4OS — CID 55247747

IUPAC2-(cyclopropylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanamide
SMILESCC(CCSc1cnccn1)(NC1CC1)C(N)=O
InChIInChI=1S/C12H18N4OS/c1-12(11(13)17,16-9-2-3-9)4-7-18-10-8-14-5-6-15-10/h5-6,8-9,16H,2-4,7H2,1H3,(H2,13,17)
InChIKeyIWZJDZVJBGQKKG-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.95
Rot. Bonds7

About 2-(cyclopropylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanamide

2-(cyclopropylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanamide (PubChem CID 55247747) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanamide
PubChem CID55247747
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-(cyclopropylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanamide
SMILESCC(CCSc1cnccn1)(NC1CC1)C(N)=O
InChIInChI=1S/C12H18N4OS/c1-12(11(13)17,16-9-2-3-9)4-7-18-10-8-14-5-6-15-10/h5-6,8-9,16H,2-4,7H2,1H3,(H2,13,17)
InChIKeyIWZJDZVJBGQKKG-UHFFFAOYSA-N
XLogP0.95
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanamide?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanamide (CID 55247747) is 2-(cyclopropylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanamide.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanamide?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanamide is CC(CCSc1cnccn1)(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanamide?
The InChIKey is IWZJDZVJBGQKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-12(11(13)17,16-9-2-3-9)4-7-18-10-8-14-5-6-15-10/h5-6,8-9,16H,2-4,7H2,1H3,(H2,13,17).
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanamide?
2-(cyclopropylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanamide has a molecular weight of 266.37 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-pyrazin-2-ylsulfanylbutanamide is sourced from PubChem (CID 55247747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).