N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

C18H31N3O4S — CID 3243796

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H31N3O4S/c22-18(19-9-6-16-4-2-1-3-5-16)17-7-10-20(11-8-17)26(23,24)21-12-14-25-15-13-21/h4,17H,1-3,5-15H2,(H,19,22)
InChIKeyZUEMXHQFLKFLGG-UHFFFAOYSA-N
MW385.53 g/mol
LogP1.28
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3243796) has the molecular formula C18H31N3O4S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
PubChem CID3243796
Molecular FormulaC18H31N3O4S
Molecular Weight385.53 g/mol
Exact Mass385.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H31N3O4S/c22-18(19-9-6-16-4-2-1-3-5-16)17-7-10-20(11-8-17)26(23,24)21-12-14-25-15-13-21/h4,17H,1-3,5-15H2,(H,19,22)
InChIKeyZUEMXHQFLKFLGG-UHFFFAOYSA-N
XLogP1.28
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (CID 3243796) is N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is ZUEMXHQFLKFLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4S/c22-18(19-9-6-16-4-2-1-3-5-16)17-7-10-20(11-8-17)26(23,24)21-12-14-25-15-13-21/h4,17H,1-3,5-15H2,(H,19,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3243796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).