N-(2-methoxyethylsulfonyl)-3-(2-methylpropylsulfanyl)propanamide

C10H21NO4S2 — CID 71931662

IUPACN-(2-methoxyethylsulfonyl)-3-(2-methylpropylsulfanyl)propanamide
SMILESCOCCS(=O)(=O)NC(=O)CCSCC(C)C
InChIInChI=1S/C10H21NO4S2/c1-9(2)8-16-6-4-10(12)11-17(13,14)7-5-15-3/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyPCJWHZAXQOKZHJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.86
Rot. Bonds9

About N-(2-methoxyethylsulfonyl)-3-(2-methylpropylsulfanyl)propanamide

N-(2-methoxyethylsulfonyl)-3-(2-methylpropylsulfanyl)propanamide (PubChem CID 71931662) has the molecular formula C10H21NO4S2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(2-methoxyethylsulfonyl)-3-(2-methylpropylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethylsulfonyl)-3-(2-methylpropylsulfanyl)propanamide
PubChem CID71931662
Molecular FormulaC10H21NO4S2
Molecular Weight283.42 g/mol
Exact Mass283.09
IUPAC NameN-(2-methoxyethylsulfonyl)-3-(2-methylpropylsulfanyl)propanamide
SMILESCOCCS(=O)(=O)NC(=O)CCSCC(C)C
InChIInChI=1S/C10H21NO4S2/c1-9(2)8-16-6-4-10(12)11-17(13,14)7-5-15-3/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyPCJWHZAXQOKZHJ-UHFFFAOYSA-N
XLogP0.86
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[2-[3-(2-methylpropylsulfanyl)propanoylamino]ethyl]butanamide
CID 166977554
methyl 2-(2-methoxyethylsulfonylamino)-4-methylpentanoate
CID 55014263
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxyethanesulfonamide
CID 64722345
2-[3-(2-methylpropylsulfanyl)propanoylamino]butanoic acid
CID 115909884
2-(2,6-dimethylphenyl)-N-(2-methoxyethylsulfonyl)acetamide
CID 146126771
N-(1-chloro-4-methylpentan-2-yl)-2-methoxyethanesulfonamide
CID 65030939
5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid
CID 82684266
2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid
CID 104936769
N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide
CID 78998841
2-(2-methoxyethylsulfanyl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915012
7-(2-methoxyethylsulfonylamino)heptanoic acid
CID 55010122
4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid
CID 80540283

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethylsulfonyl)-3-(2-methylpropylsulfanyl)propanamide?
The IUPAC name of N-(2-methoxyethylsulfonyl)-3-(2-methylpropylsulfanyl)propanamide (CID 71931662) is N-(2-methoxyethylsulfonyl)-3-(2-methylpropylsulfanyl)propanamide.
What is the SMILES notation for N-(2-methoxyethylsulfonyl)-3-(2-methylpropylsulfanyl)propanamide?
The canonical SMILES for N-(2-methoxyethylsulfonyl)-3-(2-methylpropylsulfanyl)propanamide is COCCS(=O)(=O)NC(=O)CCSCC(C)C.
What is the InChIKey of N-(2-methoxyethylsulfonyl)-3-(2-methylpropylsulfanyl)propanamide?
The InChIKey is PCJWHZAXQOKZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S2/c1-9(2)8-16-6-4-10(12)11-17(13,14)7-5-15-3/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N-(2-methoxyethylsulfonyl)-3-(2-methylpropylsulfanyl)propanamide?
N-(2-methoxyethylsulfonyl)-3-(2-methylpropylsulfanyl)propanamide has a molecular weight of 283.42 g/mol, XLogP of 0.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethylsulfonyl)-3-(2-methylpropylsulfanyl)propanamide is sourced from PubChem (CID 71931662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).