N,N-diethyl-3-(propan-2-ylsulfonylamino)propanamide

C10H22N2O3S — CID 61356536

IUPACN,N-diethyl-3-(propan-2-ylsulfonylamino)propanamide
SMILESCCN(CC)C(=O)CCNS(=O)(=O)C(C)C
InChIInChI=1S/C10H22N2O3S/c1-5-12(6-2)10(13)7-8-11-16(14,15)9(3)4/h9,11H,5-8H2,1-4H3
InChIKeyITFIOPVJBJSWSR-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.57
Rot. Bonds7

About N,N-diethyl-3-(propan-2-ylsulfonylamino)propanamide

N,N-diethyl-3-(propan-2-ylsulfonylamino)propanamide (PubChem CID 61356536) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N,N-diethyl-3-(propan-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(propan-2-ylsulfonylamino)propanamide
PubChem CID61356536
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN,N-diethyl-3-(propan-2-ylsulfonylamino)propanamide
SMILESCCN(CC)C(=O)CCNS(=O)(=O)C(C)C
InChIInChI=1S/C10H22N2O3S/c1-5-12(6-2)10(13)7-8-11-16(14,15)9(3)4/h9,11H,5-8H2,1-4H3
InChIKeyITFIOPVJBJSWSR-UHFFFAOYSA-N
XLogP0.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.57
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-(propan-2-ylsulfonylamino)propanamide?
The IUPAC name of N,N-diethyl-3-(propan-2-ylsulfonylamino)propanamide (CID 61356536) is N,N-diethyl-3-(propan-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N,N-diethyl-3-(propan-2-ylsulfonylamino)propanamide?
The canonical SMILES for N,N-diethyl-3-(propan-2-ylsulfonylamino)propanamide is CCN(CC)C(=O)CCNS(=O)(=O)C(C)C.
What is the InChIKey of N,N-diethyl-3-(propan-2-ylsulfonylamino)propanamide?
The InChIKey is ITFIOPVJBJSWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-5-12(6-2)10(13)7-8-11-16(14,15)9(3)4/h9,11H,5-8H2,1-4H3.
What are the key properties of N,N-diethyl-3-(propan-2-ylsulfonylamino)propanamide?
N,N-diethyl-3-(propan-2-ylsulfonylamino)propanamide has a molecular weight of 250.36 g/mol, XLogP of 0.57, 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-(propan-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 61356536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).