N-ethyl-1-methylsulfonylpiperazine-2-carboxamide

C8H17N3O3S — CID 59703722

IUPACN-ethyl-1-methylsulfonylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1S(C)(=O)=O
InChIInChI=1S/C8H17N3O3S/c1-3-10-8(12)7-6-9-4-5-11(7)15(2,13)14/h7,9H,3-6H2,1-2H3,(H,10,12)
InChIKeyBUFKNVFEWSJUJC-UHFFFAOYSA-N
MW235.31 g/mol
LogP-1.64
Rot. Bonds3

About N-ethyl-1-methylsulfonylpiperazine-2-carboxamide

N-ethyl-1-methylsulfonylpiperazine-2-carboxamide (PubChem CID 59703722) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is N-ethyl-1-methylsulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methylsulfonylpiperazine-2-carboxamide
PubChem CID59703722
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC NameN-ethyl-1-methylsulfonylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1S(C)(=O)=O
InChIInChI=1S/C8H17N3O3S/c1-3-10-8(12)7-6-9-4-5-11(7)15(2,13)14/h7,9H,3-6H2,1-2H3,(H,10,12)
InChIKeyBUFKNVFEWSJUJC-UHFFFAOYSA-N
XLogP-1.64
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methylsulfonylpiperazine-2-carboxamide?
The IUPAC name of N-ethyl-1-methylsulfonylpiperazine-2-carboxamide (CID 59703722) is N-ethyl-1-methylsulfonylpiperazine-2-carboxamide.
What is the SMILES notation for N-ethyl-1-methylsulfonylpiperazine-2-carboxamide?
The canonical SMILES for N-ethyl-1-methylsulfonylpiperazine-2-carboxamide is CCNC(=O)C1CNCCN1S(C)(=O)=O.
What is the InChIKey of N-ethyl-1-methylsulfonylpiperazine-2-carboxamide?
The InChIKey is BUFKNVFEWSJUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-3-10-8(12)7-6-9-4-5-11(7)15(2,13)14/h7,9H,3-6H2,1-2H3,(H,10,12).
What are the key properties of N-ethyl-1-methylsulfonylpiperazine-2-carboxamide?
N-ethyl-1-methylsulfonylpiperazine-2-carboxamide has a molecular weight of 235.31 g/mol, XLogP of -1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methylsulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 59703722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).