2-(methylamino)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one

C9H19N3O3S — CID 62636954

IUPAC2-(methylamino)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
SMILESCNC(C)C(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H19N3O3S/c1-8(10-2)9(13)11-4-6-12(7-5-11)16(3,14)15/h8,10H,4-7H2,1-3H3
InChIKeyFFZKAZYXBWVNNI-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.30
Rot. Bonds3

About 2-(methylamino)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one

2-(methylamino)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one (PubChem CID 62636954) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(methylamino)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(methylamino)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
PubChem CID62636954
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name2-(methylamino)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
SMILESCNC(C)C(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H19N3O3S/c1-8(10-2)9(13)11-4-6-12(7-5-11)16(3,14)15/h8,10H,4-7H2,1-3H3
InChIKeyFFZKAZYXBWVNNI-UHFFFAOYSA-N
XLogP-1.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(methylamino)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one (CID 62636954) is 2-(methylamino)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(methylamino)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(methylamino)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one is CNC(C)C(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-(methylamino)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one?
The InChIKey is FFZKAZYXBWVNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-8(10-2)9(13)11-4-6-12(7-5-11)16(3,14)15/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-(methylamino)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one?
2-(methylamino)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one has a molecular weight of 249.34 g/mol, XLogP of -1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 62636954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).