2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide

C12H26N2O4S3 — CID 103867126

IUPAC2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)NC(C)C(CO)SC
InChIInChI=1S/C12H26N2O4S3/c1-5-21(17,18)14-10(6-7-19-3)12(16)13-9(2)11(8-15)20-4/h9-11,14-15H,5-8H2,1-4H3,(H,13,16)
InChIKeyITEXLLUXHIDJQU-UHFFFAOYSA-N
MW358.55 g/mol
LogP0.28
Rot. Bonds11

About 2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide

2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide (PubChem CID 103867126) has the molecular formula C12H26N2O4S3 and a molecular weight of 358.55 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide
PubChem CID103867126
Molecular FormulaC12H26N2O4S3
Molecular Weight358.55 g/mol
Exact Mass358.11
IUPAC Name2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)NC(C)C(CO)SC
InChIInChI=1S/C12H26N2O4S3/c1-5-21(17,18)14-10(6-7-19-3)12(16)13-9(2)11(8-15)20-4/h9-11,14-15H,5-8H2,1-4H3,(H,13,16)
InChIKeyITEXLLUXHIDJQU-UHFFFAOYSA-N
XLogP0.28
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide
CID 103798799
N-(2,3-dihydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide
CID 66178120
2-(ethylsulfonylamino)-4-methylsulfanylbutanoic acid
CID 4961765
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 103867207
N-cyano-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide
CID 79194141
2-(ethylsulfonylamino)-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide
CID 103825245
(2S)-2-(ethylsulfonylamino)-N-(4-methylcyclohexyl)-4-methylsulfanylbutanamide
CID 92845467
2-(ethylsulfonylamino)-N-(1H-imidazol-2-yl)-4-methylsulfanylbutanamide
CID 55213744
N-[1-(azepan-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]ethanesulfonamide
CID 60717358
1-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)methanesulfonamide
CID 106162657
2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103801532
4-methylsulfanyl-2-[2-(propylsulfonylamino)propanoylamino]butanoic acid
CID 43170236

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide?
The IUPAC name of 2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide (CID 103867126) is 2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide is CCS(=O)(=O)NC(CCSC)C(=O)NC(C)C(CO)SC.
What is the InChIKey of 2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide?
The InChIKey is ITEXLLUXHIDJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S3/c1-5-21(17,18)14-10(6-7-19-3)12(16)13-9(2)11(8-15)20-4/h9-11,14-15H,5-8H2,1-4H3,(H,13,16).
What are the key properties of 2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide?
2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide has a molecular weight of 358.55 g/mol, XLogP of 0.28, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 103867126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).