N,N-diethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide

C13H27N3O3S — CID 43628998

IUPACN,N-diethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide
SMILESCCN(CC)C(=O)C(C)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H27N3O3S/c1-5-15(6-2)13(17)11(3)14-12-7-9-16(10-8-12)20(4,18)19/h11-12,14H,5-10H2,1-4H3
InChIKeyNBYAWNBHEKXGDE-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.26
Rot. Bonds6

About N,N-diethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide

N,N-diethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide (PubChem CID 43628998) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N,N-diethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide
PubChem CID43628998
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN,N-diethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide
SMILESCCN(CC)C(=O)C(C)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H27N3O3S/c1-5-15(6-2)13(17)11(3)14-12-7-9-16(10-8-12)20(4,18)19/h11-12,14H,5-10H2,1-4H3
InChIKeyNBYAWNBHEKXGDE-UHFFFAOYSA-N
XLogP0.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-N,N-diethylpropanamide
CID 43113043
N,N-diethyl-2-[(1-ethylpiperidin-4-yl)amino]propanamide
CID 43739392
2-(cycloheptylamino)-N,N-diethylpropanamide
CID 43132181
N-ethyl-2-[(3-methyl-1-methylsulfonylpiperidin-4-yl)amino]-N-(2-methylprop-2-enyl)propanamide
CID 71871949
N,N-diethyl-2-[(3-propan-2-ylcyclobutyl)amino]propanamide
CID 103561513
N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine
CID 43628807
N,N-diethyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 64754869
4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol
CID 113262654
N-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine
CID 56708476
2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide
CID 43112784
N,N-diethyl-2-[(2-methyloxolan-3-yl)amino]propanamide
CID 115337064
N-heptan-3-yl-1-methylsulfonylpiperidin-4-amine
CID 63945691

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide?
The IUPAC name of N,N-diethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide (CID 43628998) is N,N-diethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide?
The canonical SMILES for N,N-diethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide is CCN(CC)C(=O)C(C)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N,N-diethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide?
The InChIKey is NBYAWNBHEKXGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-5-15(6-2)13(17)11(3)14-12-7-9-16(10-8-12)20(4,18)19/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N,N-diethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide?
N,N-diethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide has a molecular weight of 305.44 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide is sourced from PubChem (CID 43628998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).