2-(4-ethylsulfanylbutan-2-ylamino)ethanesulfonamide

C8H20N2O2S2 — CID 114385225

IUPAC2-(4-ethylsulfanylbutan-2-ylamino)ethanesulfonamide
SMILESCCSCCC(C)NCCS(N)(=O)=O
InChIInChI=1S/C8H20N2O2S2/c1-3-13-6-4-8(2)10-5-7-14(9,11)12/h8,10H,3-7H2,1-2H3,(H2,9,11,12)
InChIKeyBBHDFGKUVSFKIO-UHFFFAOYSA-N
MW240.39 g/mol
LogP0.40
Rot. Bonds8

About 2-(4-ethylsulfanylbutan-2-ylamino)ethanesulfonamide

2-(4-ethylsulfanylbutan-2-ylamino)ethanesulfonamide (PubChem CID 114385225) has the molecular formula C8H20N2O2S2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(4-ethylsulfanylbutan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-ethylsulfanylbutan-2-ylamino)ethanesulfonamide
PubChem CID114385225
Molecular FormulaC8H20N2O2S2
Molecular Weight240.39 g/mol
Exact Mass240.10
IUPAC Name2-(4-ethylsulfanylbutan-2-ylamino)ethanesulfonamide
SMILESCCSCCC(C)NCCS(N)(=O)=O
InChIInChI=1S/C8H20N2O2S2/c1-3-13-6-4-8(2)10-5-7-14(9,11)12/h8,10H,3-7H2,1-2H3,(H2,9,11,12)
InChIKeyBBHDFGKUVSFKIO-UHFFFAOYSA-N
XLogP0.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(2-sulfamoylethylamino)heptanoic acid
CID 114385392
2-(heptan-4-ylamino)ethanesulfonamide
CID 43551797
3-(2-sulfamoylethylamino)butanamide
CID 114385219
1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
CID 106724509
4-ethylsulfanyl-N-propan-2-ylbutan-2-amine
CID 115906033
N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine
CID 63926903
N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide
CID 115662209
2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 115734463
2-[4-(3-methylphenyl)butan-2-ylamino]ethanesulfonamide
CID 61169942
3-(2-ethylsulfanylethylamino)butanamide
CID 104668703
2-(2-sulfamoylethylamino)propanamide
CID 114384800
2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide
CID 114385022

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylbutan-2-ylamino)ethanesulfonamide?
The IUPAC name of 2-(4-ethylsulfanylbutan-2-ylamino)ethanesulfonamide (CID 114385225) is 2-(4-ethylsulfanylbutan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for 2-(4-ethylsulfanylbutan-2-ylamino)ethanesulfonamide?
The canonical SMILES for 2-(4-ethylsulfanylbutan-2-ylamino)ethanesulfonamide is CCSCCC(C)NCCS(N)(=O)=O.
What is the InChIKey of 2-(4-ethylsulfanylbutan-2-ylamino)ethanesulfonamide?
The InChIKey is BBHDFGKUVSFKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S2/c1-3-13-6-4-8(2)10-5-7-14(9,11)12/h8,10H,3-7H2,1-2H3,(H2,9,11,12).
What are the key properties of 2-(4-ethylsulfanylbutan-2-ylamino)ethanesulfonamide?
2-(4-ethylsulfanylbutan-2-ylamino)ethanesulfonamide has a molecular weight of 240.39 g/mol, XLogP of 0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylbutan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 114385225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).