N-ethyl-4-methyl-1-methylsulfonylpiperazine-2-carboxamide

C9H19N3O3S — CID 59703712

IUPACN-ethyl-4-methyl-1-methylsulfonylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CN(C)CCN1S(C)(=O)=O
InChIInChI=1S/C9H19N3O3S/c1-4-10-9(13)8-7-11(2)5-6-12(8)16(3,14)15/h8H,4-7H2,1-3H3,(H,10,13)
InChIKeyUKVZZDGBWXBQDL-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.30
Rot. Bonds3

About N-ethyl-4-methyl-1-methylsulfonylpiperazine-2-carboxamide

N-ethyl-4-methyl-1-methylsulfonylpiperazine-2-carboxamide (PubChem CID 59703712) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-methylsulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-methylsulfonylpiperazine-2-carboxamide
PubChem CID59703712
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC NameN-ethyl-4-methyl-1-methylsulfonylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CN(C)CCN1S(C)(=O)=O
InChIInChI=1S/C9H19N3O3S/c1-4-10-9(13)8-7-11(2)5-6-12(8)16(3,14)15/h8H,4-7H2,1-3H3,(H,10,13)
InChIKeyUKVZZDGBWXBQDL-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 N-ethyl-4-methyl-1-methylsulfonylpiperazine-2-carboxamide?
The IUPAC name of N-ethyl-4-methyl-1-methylsulfonylpiperazine-2-carboxamide (CID 59703712) is N-ethyl-4-methyl-1-methylsulfonylpiperazine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-methyl-1-methylsulfonylpiperazine-2-carboxamide?
The canonical SMILES for N-ethyl-4-methyl-1-methylsulfonylpiperazine-2-carboxamide is CCNC(=O)C1CN(C)CCN1S(C)(=O)=O.
What is the InChIKey of N-ethyl-4-methyl-1-methylsulfonylpiperazine-2-carboxamide?
The InChIKey is UKVZZDGBWXBQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-4-10-9(13)8-7-11(2)5-6-12(8)16(3,14)15/h8H,4-7H2,1-3H3,(H,10,13).
What are the key properties of N-ethyl-4-methyl-1-methylsulfonylpiperazine-2-carboxamide?
N-ethyl-4-methyl-1-methylsulfonylpiperazine-2-carboxamide 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 N-ethyl-4-methyl-1-methylsulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 59703712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).