2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide

C9H19N3O3S — CID 103287498

IUPAC2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)NS(C)(=O)=O)N1CCNCC1
InChIInChI=1S/C9H19N3O3S/c1-9(2,8(13)11-16(3,14)15)12-6-4-10-5-7-12/h10H,4-7H2,1-3H3,(H,11,13)
InChIKeyCZIQKLLQNDZYPB-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.25
Rot. Bonds3

About 2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide

2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide (PubChem CID 103287498) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide
PubChem CID103287498
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)NS(C)(=O)=O)N1CCNCC1
InChIInChI=1S/C9H19N3O3S/c1-9(2,8(13)11-16(3,14)15)12-6-4-10-5-7-12/h10H,4-7H2,1-3H3,(H,11,13)
InChIKeyCZIQKLLQNDZYPB-UHFFFAOYSA-N
XLogP-1.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide?
The IUPAC name of 2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide (CID 103287498) is 2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide is CC(C)(C(=O)NS(C)(=O)=O)N1CCNCC1.
What is the InChIKey of 2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide?
The InChIKey is CZIQKLLQNDZYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-9(2,8(13)11-16(3,14)15)12-6-4-10-5-7-12/h10H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide?
2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide has a molecular weight of 249.34 g/mol, XLogP of -1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 103287498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).