N-(2-morpholin-4-ylethyl)-1-propylsulfonylpiperidine-3-carboxamide

C15H29N3O4S — CID 3236583

IUPACN-(2-morpholin-4-ylethyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCN2CCOCC2)C1
InChIInChI=1S/C15H29N3O4S/c1-2-12-23(20,21)18-6-3-4-14(13-18)15(19)16-5-7-17-8-10-22-11-9-17/h14H,2-13H2,1H3,(H,16,19)
InChIKeyLANJUGQIVXWXNW-UHFFFAOYSA-N
MW347.48 g/mol
LogP-0.11
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-1-propylsulfonylpiperidine-3-carboxamide

N-(2-morpholin-4-ylethyl)-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 3236583) has the molecular formula C15H29N3O4S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID3236583
Molecular FormulaC15H29N3O4S
Molecular Weight347.48 g/mol
Exact Mass347.19
IUPAC NameN-(2-morpholin-4-ylethyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCN2CCOCC2)C1
InChIInChI=1S/C15H29N3O4S/c1-2-12-23(20,21)18-6-3-4-14(13-18)15(19)16-5-7-17-8-10-22-11-9-17/h14H,2-13H2,1H3,(H,16,19)
InChIKeyLANJUGQIVXWXNW-UHFFFAOYSA-N
XLogP-0.11
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1-propylsulfonylpiperidine-3-carboxamide (CID 3236583) is N-(2-morpholin-4-ylethyl)-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NCCN2CCOCC2)C1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is LANJUGQIVXWXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O4S/c1-2-12-23(20,21)18-6-3-4-14(13-18)15(19)16-5-7-17-8-10-22-11-9-17/h14H,2-13H2,1H3,(H,16,19).
What are the key properties of N-(2-morpholin-4-ylethyl)-1-propylsulfonylpiperidine-3-carboxamide?
N-(2-morpholin-4-ylethyl)-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 347.48 g/mol, XLogP of -0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3236583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).