N-[2-(diethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide

C15H31N3O3S — CID 3243096

IUPACN-[2-(diethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCN(CC)CC)C1
InChIInChI=1S/C15H31N3O3S/c1-4-12-22(20,21)18-10-7-8-14(13-18)15(19)16-9-11-17(5-2)6-3/h14H,4-13H2,1-3H3,(H,16,19)
InChIKeyOKJGKZYKGQLPGW-UHFFFAOYSA-N
MW333.50 g/mol
LogP0.90
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide

N-[2-(diethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 3243096) has the molecular formula C15H31N3O3S and a molecular weight of 333.50 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID3243096
Molecular FormulaC15H31N3O3S
Molecular Weight333.50 g/mol
Exact Mass333.21
IUPAC NameN-[2-(diethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCN(CC)CC)C1
InChIInChI=1S/C15H31N3O3S/c1-4-12-22(20,21)18-10-7-8-14(13-18)15(19)16-9-11-17(5-2)6-3/h14H,4-13H2,1-3H3,(H,16,19)
InChIKeyOKJGKZYKGQLPGW-UHFFFAOYSA-N
XLogP0.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 50.90
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-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 3243096) is N-[2-(diethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NCCN(CC)CC)C1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is OKJGKZYKGQLPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3S/c1-4-12-22(20,21)18-10-7-8-14(13-18)15(19)16-9-11-17(5-2)6-3/h14H,4-13H2,1-3H3,(H,16,19).
What are the key properties of N-[2-(diethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[2-(diethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 333.50 g/mol, XLogP of 0.90, 9 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-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3243096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).