2-(ethylsulfonylamino)-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide

C13H28N2O4S2 — CID 103825245

IUPAC2-(ethylsulfonylamino)-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)NCC(C)(C)CCO
InChIInChI=1S/C13H28N2O4S2/c1-5-21(18,19)15-11(6-9-20-4)12(17)14-10-13(2,3)7-8-16/h11,15-16H,5-10H2,1-4H3,(H,14,17)
InChIKeyGBIMKVMUQAWLAE-UHFFFAOYSA-N
MW340.51 g/mol
LogP0.57
Rot. Bonds11

About 2-(ethylsulfonylamino)-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide

2-(ethylsulfonylamino)-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide (PubChem CID 103825245) has the molecular formula C13H28N2O4S2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide
PubChem CID103825245
Molecular FormulaC13H28N2O4S2
Molecular Weight340.51 g/mol
Exact Mass340.15
IUPAC Name2-(ethylsulfonylamino)-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)NCC(C)(C)CCO
InChIInChI=1S/C13H28N2O4S2/c1-5-21(18,19)15-11(6-9-20-4)12(17)14-10-13(2,3)7-8-16/h11,15-16H,5-10H2,1-4H3,(H,14,17)
InChIKeyGBIMKVMUQAWLAE-UHFFFAOYSA-N
XLogP0.57
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide
CID 66178120
(2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide
CID 106148043
2-(ethylsulfonylamino)-4-methylsulfanylbutanoic acid
CID 4961765
N-cyano-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide
CID 79194141
N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 103824958
2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide
CID 103867126
(2S)-2-(ethylsulfonylamino)-N-(4-methylcyclohexyl)-4-methylsulfanylbutanamide
CID 92845467
(2S)-2-(ethylsulfonylamino)-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbutanamide
CID 94825011
(2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide
CID 103461634
N-[1-(azepan-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]ethanesulfonamide
CID 60717358
2-(ethylsulfonylamino)-N-(1H-imidazol-2-yl)-4-methylsulfanylbutanamide
CID 55213744
2-(ethylsulfonylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methylsulfanylbutanamide
CID 55366825

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide?
The IUPAC name of 2-(ethylsulfonylamino)-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide (CID 103825245) is 2-(ethylsulfonylamino)-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(ethylsulfonylamino)-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide is CCS(=O)(=O)NC(CCSC)C(=O)NCC(C)(C)CCO.
What is the InChIKey of 2-(ethylsulfonylamino)-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide?
The InChIKey is GBIMKVMUQAWLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O4S2/c1-5-21(18,19)15-11(6-9-20-4)12(17)14-10-13(2,3)7-8-16/h11,15-16H,5-10H2,1-4H3,(H,14,17).
What are the key properties of 2-(ethylsulfonylamino)-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide?
2-(ethylsulfonylamino)-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide has a molecular weight of 340.51 g/mol, XLogP of 0.57, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 103825245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).