N,N-diethyl-3-[methylsulfonyl(propan-2-yl)amino]propanamide

C11H24N2O3S — CID 113136116

IUPACN,N-diethyl-3-[methylsulfonyl(propan-2-yl)amino]propanamide
SMILESCCN(CC)C(=O)CCN(C(C)C)S(C)(=O)=O
InChIInChI=1S/C11H24N2O3S/c1-6-12(7-2)11(14)8-9-13(10(3)4)17(5,15)16/h10H,6-9H2,1-5H3
InChIKeyRHIFXVUGVXKNDZ-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.91
Rot. Bonds7

About N,N-diethyl-3-[methylsulfonyl(propan-2-yl)amino]propanamide

N,N-diethyl-3-[methylsulfonyl(propan-2-yl)amino]propanamide (PubChem CID 113136116) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N,N-diethyl-3-[methylsulfonyl(propan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[methylsulfonyl(propan-2-yl)amino]propanamide
PubChem CID113136116
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN,N-diethyl-3-[methylsulfonyl(propan-2-yl)amino]propanamide
SMILESCCN(CC)C(=O)CCN(C(C)C)S(C)(=O)=O
InChIInChI=1S/C11H24N2O3S/c1-6-12(7-2)11(14)8-9-13(10(3)4)17(5,15)16/h10H,6-9H2,1-5H3
InChIKeyRHIFXVUGVXKNDZ-UHFFFAOYSA-N
XLogP0.91
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[methylsulfonyl(propan-2-yl)amino]propanamide?
The IUPAC name of N,N-diethyl-3-[methylsulfonyl(propan-2-yl)amino]propanamide (CID 113136116) is N,N-diethyl-3-[methylsulfonyl(propan-2-yl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[methylsulfonyl(propan-2-yl)amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[methylsulfonyl(propan-2-yl)amino]propanamide is CCN(CC)C(=O)CCN(C(C)C)S(C)(=O)=O.
What is the InChIKey of N,N-diethyl-3-[methylsulfonyl(propan-2-yl)amino]propanamide?
The InChIKey is RHIFXVUGVXKNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-6-12(7-2)11(14)8-9-13(10(3)4)17(5,15)16/h10H,6-9H2,1-5H3.
What are the key properties of N,N-diethyl-3-[methylsulfonyl(propan-2-yl)amino]propanamide?
N,N-diethyl-3-[methylsulfonyl(propan-2-yl)amino]propanamide has a molecular weight of 264.39 g/mol, XLogP of 0.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[methylsulfonyl(propan-2-yl)amino]propanamide is sourced from PubChem (CID 113136116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).