N,N-diethyl-3-(ethylsulfonylamino)propanamide

C9H20N2O3S — CID 61356537

IUPACN,N-diethyl-3-(ethylsulfonylamino)propanamide
SMILESCCN(CC)C(=O)CCNS(=O)(=O)CC
InChIInChI=1S/C9H20N2O3S/c1-4-11(5-2)9(12)7-8-10-15(13,14)6-3/h10H,4-8H2,1-3H3
InChIKeyMIRKAKHQVXYGHY-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.18
Rot. Bonds7

About N,N-diethyl-3-(ethylsulfonylamino)propanamide

N,N-diethyl-3-(ethylsulfonylamino)propanamide (PubChem CID 61356537) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N,N-diethyl-3-(ethylsulfonylamino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(ethylsulfonylamino)propanamide
PubChem CID61356537
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN,N-diethyl-3-(ethylsulfonylamino)propanamide
SMILESCCN(CC)C(=O)CCNS(=O)(=O)CC
InChIInChI=1S/C9H20N2O3S/c1-4-11(5-2)9(12)7-8-10-15(13,14)6-3/h10H,4-8H2,1-3H3
InChIKeyMIRKAKHQVXYGHY-UHFFFAOYSA-N
XLogP0.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(ethylsulfonylamino)propanamide?
The IUPAC name of N,N-diethyl-3-(ethylsulfonylamino)propanamide (CID 61356537) is N,N-diethyl-3-(ethylsulfonylamino)propanamide.
What is the SMILES notation for N,N-diethyl-3-(ethylsulfonylamino)propanamide?
The canonical SMILES for N,N-diethyl-3-(ethylsulfonylamino)propanamide is CCN(CC)C(=O)CCNS(=O)(=O)CC.
What is the InChIKey of N,N-diethyl-3-(ethylsulfonylamino)propanamide?
The InChIKey is MIRKAKHQVXYGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-4-11(5-2)9(12)7-8-10-15(13,14)6-3/h10H,4-8H2,1-3H3.
What are the key properties of N,N-diethyl-3-(ethylsulfonylamino)propanamide?
N,N-diethyl-3-(ethylsulfonylamino)propanamide has a molecular weight of 236.34 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(ethylsulfonylamino)propanamide is sourced from PubChem (CID 61356537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).