4-(ethylamino)-N-(4-methylpiperazin-1-yl)butane-1-sulfonamide

C11H26N4O2S — CID 106075461

IUPAC4-(ethylamino)-N-(4-methylpiperazin-1-yl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NN1CCN(C)CC1
InChIInChI=1S/C11H26N4O2S/c1-3-12-6-4-5-11-18(16,17)13-15-9-7-14(2)8-10-15/h12-13H,3-11H2,1-2H3
InChIKeyGGUKNZZRNXFVBN-UHFFFAOYSA-N
MW278.42 g/mol
LogP-0.54
Rot. Bonds8

About 4-(ethylamino)-N-(4-methylpiperazin-1-yl)butane-1-sulfonamide

4-(ethylamino)-N-(4-methylpiperazin-1-yl)butane-1-sulfonamide (PubChem CID 106075461) has the molecular formula C11H26N4O2S and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-(ethylamino)-N-(4-methylpiperazin-1-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(4-methylpiperazin-1-yl)butane-1-sulfonamide
PubChem CID106075461
Molecular FormulaC11H26N4O2S
Molecular Weight278.42 g/mol
Exact Mass278.18
IUPAC Name4-(ethylamino)-N-(4-methylpiperazin-1-yl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NN1CCN(C)CC1
InChIInChI=1S/C11H26N4O2S/c1-3-12-6-4-5-11-18(16,17)13-15-9-7-14(2)8-10-15/h12-13H,3-11H2,1-2H3
InChIKeyGGUKNZZRNXFVBN-UHFFFAOYSA-N
XLogP-0.54
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(ethylamino)-N-(4-methylpiperazin-1-yl)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylamino)-N-(4-methylpiperazin-1-yl)ethanesulfonamide
CID 83026101
3-(cyclopropylamino)-N-(4-methylpiperazin-1-yl)propane-1-sulfonamide
CID 106075545
N-piperidin-1-yl-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114141871
4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
CID 106070548
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106088438
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386
4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063520
N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide
CID 114552211
N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide
CID 113479488
4-amino-N-piperidin-1-ylbutane-1-sulfonamide
CID 83014122
N-[3-(ethylamino)propyl]nonane-1-sulfonamide
CID 59769773
N-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonamide;hydrochloride
CID 22364892

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(4-methylpiperazin-1-yl)butane-1-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-(4-methylpiperazin-1-yl)butane-1-sulfonamide (CID 106075461) is 4-(ethylamino)-N-(4-methylpiperazin-1-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(4-methylpiperazin-1-yl)butane-1-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(4-methylpiperazin-1-yl)butane-1-sulfonamide is CCNCCCCS(=O)(=O)NN1CCN(C)CC1.
What is the InChIKey of 4-(ethylamino)-N-(4-methylpiperazin-1-yl)butane-1-sulfonamide?
The InChIKey is GGUKNZZRNXFVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O2S/c1-3-12-6-4-5-11-18(16,17)13-15-9-7-14(2)8-10-15/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-(ethylamino)-N-(4-methylpiperazin-1-yl)butane-1-sulfonamide?
4-(ethylamino)-N-(4-methylpiperazin-1-yl)butane-1-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of -0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(4-methylpiperazin-1-yl)butane-1-sulfonamide is sourced from PubChem (CID 106075461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).