N-[3-(diethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide

C15H31N3O3S — CID 3599497

IUPACN-[3-(diethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C15H31N3O3S/c1-4-17(5-2)11-7-10-16-15(19)14-8-12-18(13-9-14)22(20,21)6-3/h14H,4-13H2,1-3H3,(H,16,19)
InChIKeyTWVKWFCNDXJVOA-UHFFFAOYSA-N
MW333.50 g/mol
LogP0.90
Rot. Bonds9

About N-[3-(diethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide

N-[3-(diethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 3599497) has the molecular formula C15H31N3O3S and a molecular weight of 333.50 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID3599497
Molecular FormulaC15H31N3O3S
Molecular Weight333.50 g/mol
Exact Mass333.21
IUPAC NameN-[3-(diethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C15H31N3O3S/c1-4-17(5-2)11-7-10-16-15(19)14-8-12-18(13-9-14)22(20,21)6-3/h14H,4-13H2,1-3H3,(H,16,19)
InChIKeyTWVKWFCNDXJVOA-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide (CID 3599497) is N-[3-(diethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide is CCN(CC)CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of N-[3-(diethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is TWVKWFCNDXJVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3S/c1-4-17(5-2)11-7-10-16-15(19)14-8-12-18(13-9-14)22(20,21)6-3/h14H,4-13H2,1-3H3,(H,16,19).
What are the key properties of N-[3-(diethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide?
N-[3-(diethylamino)propyl]-1-ethylsulfonylpiperidine-4-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-[3-(diethylamino)propyl]-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3599497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).