N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide

C10H21N3O3S — CID 59703859

IUPACN,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CN(CC)CCN1S(C)(=O)=O
InChIInChI=1S/C10H21N3O3S/c1-4-11-10(14)9-8-12(5-2)6-7-13(9)17(3,15)16/h9H,4-8H2,1-3H3,(H,11,14)
InChIKeyUJFSOHDLNUZQQW-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.91
Rot. Bonds4

About N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide

N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide (PubChem CID 59703859) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide
PubChem CID59703859
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CN(CC)CCN1S(C)(=O)=O
InChIInChI=1S/C10H21N3O3S/c1-4-11-10(14)9-8-12(5-2)6-7-13(9)17(3,15)16/h9H,4-8H2,1-3H3,(H,11,14)
InChIKeyUJFSOHDLNUZQQW-UHFFFAOYSA-N
XLogP-0.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide?
The IUPAC name of N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide (CID 59703859) is N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide.
What is the SMILES notation for N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide?
The canonical SMILES for N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide is CCNC(=O)C1CN(CC)CCN1S(C)(=O)=O.
What is the InChIKey of N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide?
The InChIKey is UJFSOHDLNUZQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-4-11-10(14)9-8-12(5-2)6-7-13(9)17(3,15)16/h9H,4-8H2,1-3H3,(H,11,14).
What are the key properties of N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide?
N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide has a molecular weight of 263.36 g/mol, XLogP of -0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 59703859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).