1-ethylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

C14H27N3O4S — CID 4614751

IUPAC1-ethylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C14H27N3O4S/c1-2-22(19,20)17-6-3-13(4-7-17)14(18)15-5-8-16-9-11-21-12-10-16/h13H,2-12H2,1H3,(H,15,18)
InChIKeyGTMHKVXZWVGIPY-UHFFFAOYSA-N
MW333.45 g/mol
LogP-0.50
Rot. Bonds6

About 1-ethylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

1-ethylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 4614751) has the molecular formula C14H27N3O4S and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
PubChem CID4614751
Molecular FormulaC14H27N3O4S
Molecular Weight333.45 g/mol
Exact Mass333.17
IUPAC Name1-ethylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C14H27N3O4S/c1-2-22(19,20)17-6-3-13(4-7-17)14(18)15-5-8-16-9-11-21-12-10-16/h13H,2-12H2,1H3,(H,15,18)
InChIKeyGTMHKVXZWVGIPY-UHFFFAOYSA-N
XLogP-0.50
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (CID 4614751) is 1-ethylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is GTMHKVXZWVGIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4S/c1-2-22(19,20)17-6-3-13(4-7-17)14(18)15-5-8-16-9-11-21-12-10-16/h13H,2-12H2,1H3,(H,15,18).
What are the key properties of 1-ethylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 333.45 g/mol, XLogP of -0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 4614751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).