4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide

C11H26N2O2S2 — CID 114142289

IUPAC4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NC(CC)CSC
InChIInChI=1S/C11H26N2O2S2/c1-4-11(10-16-3)13-17(14,15)9-7-6-8-12-5-2/h11-13H,4-10H2,1-3H3
InChIKeyCMJKLBQIHRQGBO-UHFFFAOYSA-N
MW282.47 g/mol
LogP1.44
Rot. Bonds11

About 4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide

4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide (PubChem CID 114142289) has the molecular formula C11H26N2O2S2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide
PubChem CID114142289
Molecular FormulaC11H26N2O2S2
Molecular Weight282.47 g/mol
Exact Mass282.14
IUPAC Name4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NC(CC)CSC
InChIInChI=1S/C11H26N2O2S2/c1-4-11(10-16-3)13-17(14,15)9-7-6-8-12-5-2/h11-13H,4-10H2,1-3H3
InChIKeyCMJKLBQIHRQGBO-UHFFFAOYSA-N
XLogP1.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 51.44
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

4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide
CID 106068224
3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide
CID 106079659
4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063520
4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide
CID 106011733
4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide
CID 106003380
2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide
CID 63957898
N-(1-bromobutan-2-yl)butane-1-sulfonamide
CID 114298429
4-(ethylamino)-N-[1-(4-fluorophenyl)propan-2-yl]butane-1-sulfonamide
CID 106062304
N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide
CID 114552211
N-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106078707
3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
CID 106032168
3-chloro-N-hexan-3-ylpropane-1-sulfonamide
CID 62093105

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide (CID 114142289) is 4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide is CCNCCCCS(=O)(=O)NC(CC)CSC.
What is the InChIKey of 4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide?
The InChIKey is CMJKLBQIHRQGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S2/c1-4-11(10-16-3)13-17(14,15)9-7-6-8-12-5-2/h11-13H,4-10H2,1-3H3.
What are the key properties of 4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide?
4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide has a molecular weight of 282.47 g/mol, XLogP of 1.44, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 114142289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).