3-[2-[ethyl(piperidin-4-ylmethyl)amino]ethylsulfonyl]propanamide

C13H27N3O3S — CID 79717457

IUPAC3-[2-[ethyl(piperidin-4-ylmethyl)amino]ethylsulfonyl]propanamide
SMILESCCN(CCS(=O)(=O)CCC(N)=O)CC1CCNCC1
InChIInChI=1S/C13H27N3O3S/c1-2-16(11-12-3-6-15-7-4-12)8-10-20(18,19)9-5-13(14)17/h12,15H,2-11H2,1H3,(H2,14,17)
InChIKeyUFPFKBGPGNKOSA-UHFFFAOYSA-N
MW305.44 g/mol
LogP-0.40
Rot. Bonds9

About 3-[2-[ethyl(piperidin-4-ylmethyl)amino]ethylsulfonyl]propanamide

3-[2-[ethyl(piperidin-4-ylmethyl)amino]ethylsulfonyl]propanamide (PubChem CID 79717457) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 3-[2-[ethyl(piperidin-4-ylmethyl)amino]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[ethyl(piperidin-4-ylmethyl)amino]ethylsulfonyl]propanamide
PubChem CID79717457
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name3-[2-[ethyl(piperidin-4-ylmethyl)amino]ethylsulfonyl]propanamide
SMILESCCN(CCS(=O)(=O)CCC(N)=O)CC1CCNCC1
InChIInChI=1S/C13H27N3O3S/c1-2-16(11-12-3-6-15-7-4-12)8-10-20(18,19)9-5-13(14)17/h12,15H,2-11H2,1H3,(H2,14,17)
InChIKeyUFPFKBGPGNKOSA-UHFFFAOYSA-N
XLogP-0.40
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(piperidin-4-ylmethyl)amino]acetamide
CID 79716882
2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 106728026
N,N-diethyl-4-[ethyl(piperidin-4-ylmethyl)amino]butanamide
CID 79717040
3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide
CID 79116151
5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol
CID 79716629
N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine
CID 79715887
2-[2-[ethyl(piperidin-4-ylmethyl)amino]ethoxy]ethanol
CID 79717125
ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate
CID 79702626
N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine
CID 79716430
N-(piperidin-4-ylmethyl)-N-propylpropane-1-sulfonamide
CID 79716434
2-[2-methylpropyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119930409
1-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 79716731

Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(piperidin-4-ylmethyl)amino]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[ethyl(piperidin-4-ylmethyl)amino]ethylsulfonyl]propanamide (CID 79717457) is 3-[2-[ethyl(piperidin-4-ylmethyl)amino]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[ethyl(piperidin-4-ylmethyl)amino]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[ethyl(piperidin-4-ylmethyl)amino]ethylsulfonyl]propanamide is CCN(CCS(=O)(=O)CCC(N)=O)CC1CCNCC1.
What is the InChIKey of 3-[2-[ethyl(piperidin-4-ylmethyl)amino]ethylsulfonyl]propanamide?
The InChIKey is UFPFKBGPGNKOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-2-16(11-12-3-6-15-7-4-12)8-10-20(18,19)9-5-13(14)17/h12,15H,2-11H2,1H3,(H2,14,17).
What are the key properties of 3-[2-[ethyl(piperidin-4-ylmethyl)amino]ethylsulfonyl]propanamide?
3-[2-[ethyl(piperidin-4-ylmethyl)amino]ethylsulfonyl]propanamide has a molecular weight of 305.44 g/mol, XLogP of -0.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(piperidin-4-ylmethyl)amino]ethylsulfonyl]propanamide is sourced from PubChem (CID 79717457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).