4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide

C9H22N2O2S2 — CID 106063520

IUPAC4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NCCSC
InChIInChI=1S/C9H22N2O2S2/c1-3-10-6-4-5-9-15(12,13)11-7-8-14-2/h10-11H,3-9H2,1-2H3
InChIKeyGBDFHTNJMKNFQK-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.66
Rot. Bonds10

About 4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide

4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide (PubChem CID 106063520) has the molecular formula C9H22N2O2S2 and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
PubChem CID106063520
Molecular FormulaC9H22N2O2S2
Molecular Weight254.42 g/mol
Exact Mass254.11
IUPAC Name4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NCCSC
InChIInChI=1S/C9H22N2O2S2/c1-3-10-6-4-5-9-15(12,13)11-7-8-14-2/h10-11H,3-9H2,1-2H3
InChIKeyGBDFHTNJMKNFQK-UHFFFAOYSA-N
XLogP0.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.66
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-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide
CID 63957898
4-(methylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063521
N-[3-(ethylamino)propyl]nonane-1-sulfonamide
CID 59769773
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386
4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide
CID 114142289
3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106092733
N-(6-methylsulfanylhexyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090419
N-(5-methylsulfanylpentyl)ethanesulfonamide
CID 104922242
N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide
CID 113479488
2-(methylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide
CID 63957677
3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide
CID 106079659
N-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride
CID 119973459

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide (CID 106063520) is 4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide is CCNCCCCS(=O)(=O)NCCSC.
What is the InChIKey of 4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide?
The InChIKey is GBDFHTNJMKNFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S2/c1-3-10-6-4-5-9-15(12,13)11-7-8-14-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide?
4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide has a molecular weight of 254.42 g/mol, XLogP of 0.66, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide is sourced from PubChem (CID 106063520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).