N-(5-methylsulfanylpentyl)ethanesulfonamide

C8H19NO2S2 — CID 104922242

IUPACN-(5-methylsulfanylpentyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCCCCSC
InChIInChI=1S/C8H19NO2S2/c1-3-13(10,11)9-7-5-4-6-8-12-2/h9H,3-8H2,1-2H3
InChIKeyDQZAJHVXQNQBDD-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.46
Rot. Bonds8

About N-(5-methylsulfanylpentyl)ethanesulfonamide

N-(5-methylsulfanylpentyl)ethanesulfonamide (PubChem CID 104922242) has the molecular formula C8H19NO2S2 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(5-methylsulfanylpentyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-methylsulfanylpentyl)ethanesulfonamide
PubChem CID104922242
Molecular FormulaC8H19NO2S2
Molecular Weight225.38 g/mol
Exact Mass225.09
IUPAC NameN-(5-methylsulfanylpentyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCCCCSC
InChIInChI=1S/C8H19NO2S2/c1-3-13(10,11)9-7-5-4-6-8-12-2/h9H,3-8H2,1-2H3
InChIKeyDQZAJHVXQNQBDD-UHFFFAOYSA-N
XLogP1.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-N-(5-methylsulfanylpentyl)methanesulfonamide
CID 104922278
1-[2-(ethylsulfonylamino)ethyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine
CID 111627184
N-(6-methylsulfanylhexyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090419
2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide
CID 63957898
2-(methylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide
CID 63957677
4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063520
1-(ethylamino)-N-(6-methylsulfanylhexyl)propane-2-sulfonamide
CID 106090471
4-(methylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063521
N-(6-methylsulfanylhexyl)-1-(propylamino)propane-2-sulfonamide
CID 106090470
1-[4-(methylaminomethyl)phenyl]-N-(4-methylsulfanylbutyl)methanesulfonamide
CID 106078230
N-(5-methylsulfanylpentyl)propanamide
CID 104920124
8-(ethylsulfonylamino)octanoic acid
CID 21103229

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanylpentyl)ethanesulfonamide?
The IUPAC name of N-(5-methylsulfanylpentyl)ethanesulfonamide (CID 104922242) is N-(5-methylsulfanylpentyl)ethanesulfonamide.
What is the SMILES notation for N-(5-methylsulfanylpentyl)ethanesulfonamide?
The canonical SMILES for N-(5-methylsulfanylpentyl)ethanesulfonamide is CCS(=O)(=O)NCCCCCSC.
What is the InChIKey of N-(5-methylsulfanylpentyl)ethanesulfonamide?
The InChIKey is DQZAJHVXQNQBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S2/c1-3-13(10,11)9-7-5-4-6-8-12-2/h9H,3-8H2,1-2H3.
What are the key properties of N-(5-methylsulfanylpentyl)ethanesulfonamide?
N-(5-methylsulfanylpentyl)ethanesulfonamide has a molecular weight of 225.38 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanylpentyl)ethanesulfonamide is sourced from PubChem (CID 104922242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).