1-(2-methoxyethyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide

C13H25N3O5S — CID 53383312

IUPAC1-(2-methoxyethyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
SMILESCOCCN1C(=O)CN(S(C)(=O)=O)CC1(C)C(=O)NC(C)C
InChIInChI=1S/C13H25N3O5S/c1-10(2)14-12(18)13(3)9-15(22(5,19)20)8-11(17)16(13)6-7-21-4/h10H,6-9H2,1-5H3,(H,14,18)
InChIKeyKQKXOJWFGJVINW-UHFFFAOYSA-N
MW335.43 g/mol
LogP-0.98
Rot. Bonds6

About 1-(2-methoxyethyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide

1-(2-methoxyethyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide (PubChem CID 53383312) has the molecular formula C13H25N3O5S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
PubChem CID53383312
Molecular FormulaC13H25N3O5S
Molecular Weight335.43 g/mol
Exact Mass335.15
IUPAC Name1-(2-methoxyethyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
SMILESCOCCN1C(=O)CN(S(C)(=O)=O)CC1(C)C(=O)NC(C)C
InChIInChI=1S/C13H25N3O5S/c1-10(2)14-12(18)13(3)9-15(22(5,19)20)8-11(17)16(13)6-7-21-4/h10H,6-9H2,1-5H3,(H,14,18)
InChIKeyKQKXOJWFGJVINW-UHFFFAOYSA-N
XLogP-0.98
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide (CID 53383312) is 1-(2-methoxyethyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide is COCCN1C(=O)CN(S(C)(=O)=O)CC1(C)C(=O)NC(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is KQKXOJWFGJVINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O5S/c1-10(2)14-12(18)13(3)9-15(22(5,19)20)8-11(17)16(13)6-7-21-4/h10H,6-9H2,1-5H3,(H,14,18).
What are the key properties of 1-(2-methoxyethyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide?
1-(2-methoxyethyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 335.43 g/mol, XLogP of -0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 53383312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).