N-ethyl-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide

C11H22N4O4S — CID 47141619

IUPACN-ethyl-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C11H22N4O4S/c1-2-12-11(16)13-3-5-14(6-4-13)20(17,18)15-7-9-19-10-8-15/h2-10H2,1H3,(H,12,16)
InChIKeyMPABFKHOFAPSAH-UHFFFAOYSA-N
MW306.39 g/mol
LogP-1.09
Rot. Bonds3

About N-ethyl-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide

N-ethyl-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide (PubChem CID 47141619) has the molecular formula C11H22N4O4S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-ethyl-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
PubChem CID47141619
Molecular FormulaC11H22N4O4S
Molecular Weight306.39 g/mol
Exact Mass306.14
IUPAC NameN-ethyl-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C11H22N4O4S/c1-2-12-11(16)13-3-5-14(6-4-13)20(17,18)15-7-9-19-10-8-15/h2-10H2,1H3,(H,12,16)
InChIKeyMPABFKHOFAPSAH-UHFFFAOYSA-N
XLogP-1.09
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide (CID 47141619) is N-ethyl-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide is CCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of N-ethyl-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The InChIKey is MPABFKHOFAPSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O4S/c1-2-12-11(16)13-3-5-14(6-4-13)20(17,18)15-7-9-19-10-8-15/h2-10H2,1H3,(H,12,16).
What are the key properties of N-ethyl-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
N-ethyl-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide has a molecular weight of 306.39 g/mol, XLogP of -1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 47141619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).