N-[2-[2-(diethylamino)ethoxy]ethyl]-5-piperidin-1-ylsulfonylpentanamide

C18H37N3O4S — CID 110618545

IUPACN-[2-[2-(diethylamino)ethoxy]ethyl]-5-piperidin-1-ylsulfonylpentanamide
SMILESCCN(CC)CCOCCNC(=O)CCCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H37N3O4S/c1-3-20(4-2)14-16-25-15-11-19-18(22)10-6-9-17-26(23,24)21-12-7-5-8-13-21/h3-17H2,1-2H3,(H,19,22)
InChIKeyHMAHDPCJVFIHCV-UHFFFAOYSA-N
MW391.58 g/mol
LogP1.45
Rot. Bonds14

About N-[2-[2-(diethylamino)ethoxy]ethyl]-5-piperidin-1-ylsulfonylpentanamide

N-[2-[2-(diethylamino)ethoxy]ethyl]-5-piperidin-1-ylsulfonylpentanamide (PubChem CID 110618545) has the molecular formula C18H37N3O4S and a molecular weight of 391.58 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]ethyl]-5-piperidin-1-ylsulfonylpentanamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]ethyl]-5-piperidin-1-ylsulfonylpentanamide
PubChem CID110618545
Molecular FormulaC18H37N3O4S
Molecular Weight391.58 g/mol
Exact Mass391.25
IUPAC NameN-[2-[2-(diethylamino)ethoxy]ethyl]-5-piperidin-1-ylsulfonylpentanamide
SMILESCCN(CC)CCOCCNC(=O)CCCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H37N3O4S/c1-3-20(4-2)14-16-25-15-11-19-18(22)10-6-9-17-26(23,24)21-12-7-5-8-13-21/h3-17H2,1-2H3,(H,19,22)
InChIKeyHMAHDPCJVFIHCV-UHFFFAOYSA-N
XLogP1.45
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.58
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(diethylamino)ethoxy]ethyl]-3-morpholin-4-ylsulfonylpropanamide
CID 110618498
N-(4-methoxybutyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110617165
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-methylsulfonylpropanamide
CID 110612720
3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide
CID 110618471
N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide
CID 110345992
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-piperidin-1-ylsulfonylpentanamide
CID 110615629
methyl 4-(azocan-1-ylsulfonyl)butanoate
CID 54952325
5-(4-methoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
CID 110306644
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methylsulfonylpentanamide
CID 177226030
N-[(4-fluorophenyl)methyl]-5-piperidin-1-ylsulfonylpentanamide
CID 110299788
bis[4-[2-(diethylamino)ethylamino]-4-oxobutyl] oxalate
CID 57320771
N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methylpropanamide
CID 110425032

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-5-piperidin-1-ylsulfonylpentanamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-5-piperidin-1-ylsulfonylpentanamide (CID 110618545) is N-[2-[2-(diethylamino)ethoxy]ethyl]-5-piperidin-1-ylsulfonylpentanamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]ethyl]-5-piperidin-1-ylsulfonylpentanamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]ethyl]-5-piperidin-1-ylsulfonylpentanamide is CCN(CC)CCOCCNC(=O)CCCCS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]ethyl]-5-piperidin-1-ylsulfonylpentanamide?
The InChIKey is HMAHDPCJVFIHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O4S/c1-3-20(4-2)14-16-25-15-11-19-18(22)10-6-9-17-26(23,24)21-12-7-5-8-13-21/h3-17H2,1-2H3,(H,19,22).
What are the key properties of N-[2-[2-(diethylamino)ethoxy]ethyl]-5-piperidin-1-ylsulfonylpentanamide?
N-[2-[2-(diethylamino)ethoxy]ethyl]-5-piperidin-1-ylsulfonylpentanamide has a molecular weight of 391.58 g/mol, XLogP of 1.45, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]ethyl]-5-piperidin-1-ylsulfonylpentanamide is sourced from PubChem (CID 110618545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).