N-ethyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

C12H23N3O4S — CID 22552778

IUPACN-ethyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C12H23N3O4S/c1-2-13-12(16)11-4-3-5-15(10-11)20(17,18)14-6-8-19-9-7-14/h11H,2-10H2,1H3,(H,13,16)
InChIKeyJQMYQDVQFHUMSV-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.59
Rot. Bonds4

About N-ethyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

N-ethyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (PubChem CID 22552778) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-ethyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
PubChem CID22552778
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC NameN-ethyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C12H23N3O4S/c1-2-13-12(16)11-4-3-5-15(10-11)20(17,18)14-6-8-19-9-7-14/h11H,2-10H2,1H3,(H,13,16)
InChIKeyJQMYQDVQFHUMSV-UHFFFAOYSA-N
XLogP-0.59
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (CID 22552778) is N-ethyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is CCNC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of N-ethyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is JQMYQDVQFHUMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-2-13-12(16)11-4-3-5-15(10-11)20(17,18)14-6-8-19-9-7-14/h11H,2-10H2,1H3,(H,13,16).
What are the key properties of N-ethyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
N-ethyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of -0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 22552778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).