N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-ethylbutanamide

C13H29N3O3S — CID 113066227

IUPACN-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN(CCN(C)C)S(C)(=O)=O
InChIInChI=1S/C13H29N3O3S/c1-6-12(7-2)13(17)14-8-9-16(20(5,18)19)11-10-15(3)4/h12H,6-11H2,1-5H3,(H,14,17)
InChIKeyCCILDMYEWLRDKP-UHFFFAOYSA-N
MW307.46 g/mol
LogP0.36
Rot. Bonds10

About N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-ethylbutanamide

N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-ethylbutanamide (PubChem CID 113066227) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-ethylbutanamide
PubChem CID113066227
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC NameN-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN(CCN(C)C)S(C)(=O)=O
InChIInChI=1S/C13H29N3O3S/c1-6-12(7-2)13(17)14-8-9-16(20(5,18)19)11-10-15(3)4/h12H,6-11H2,1-5H3,(H,14,17)
InChIKeyCCILDMYEWLRDKP-UHFFFAOYSA-N
XLogP0.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide
CID 113066757
2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide
CID 113066137
2-ethyl-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]butanamide
CID 113066453
N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113071547
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide
CID 113068127
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-ethylbutanamide
CID 112991411
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide
CID 113066272
2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide
CID 113067812
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066246
N-[2-(dimethylamino)ethyl]-2-ethyl-4-oxohexanamide;ethane
CID 154679925
N-[2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]ethyl]-2-ethylbutanamide
CID 113067211
2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide
CID 113069165

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-ethylbutanamide (CID 113066227) is N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCN(CCN(C)C)S(C)(=O)=O.
What is the InChIKey of N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-ethylbutanamide?
The InChIKey is CCILDMYEWLRDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-6-12(7-2)13(17)14-8-9-16(20(5,18)19)11-10-15(3)4/h12H,6-11H2,1-5H3,(H,14,17).
What are the key properties of N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-ethylbutanamide?
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-ethylbutanamide has a molecular weight of 307.46 g/mol, XLogP of 0.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-ethylbutanamide is sourced from PubChem (CID 113066227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).