N-[2-(diethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide

C14H29N3O3S — CID 3447821

IUPACN-[2-(diethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C14H29N3O3S/c1-4-16(5-2)12-9-15-14(18)13-7-10-17(11-8-13)21(19,20)6-3/h13H,4-12H2,1-3H3,(H,15,18)
InChIKeyJJDBIISRDFGYDU-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.51
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide

N-[2-(diethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 3447821) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID3447821
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-[2-(diethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C14H29N3O3S/c1-4-16(5-2)12-9-15-14(18)13-7-10-17(11-8-13)21(19,20)6-3/h13H,4-12H2,1-3H3,(H,15,18)
InChIKeyJJDBIISRDFGYDU-UHFFFAOYSA-N
XLogP0.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide (CID 3447821) is N-[2-(diethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide is CCN(CC)CCNC(=O)C1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is JJDBIISRDFGYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-4-16(5-2)12-9-15-14(18)13-7-10-17(11-8-13)21(19,20)6-3/h13H,4-12H2,1-3H3,(H,15,18).
What are the key properties of N-[2-(diethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
N-[2-(diethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 319.47 g/mol, XLogP of 0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3447821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).