N-[4-(ethylamino)butyl]-1-(2-methylpropyl)azetidine-3-sulfonamide

C13H29N3O2S — CID 170175572

IUPACN-[4-(ethylamino)butyl]-1-(2-methylpropyl)azetidine-3-sulfonamide
SMILESCCNCCCCNS(=O)(=O)C1CN(CC(C)C)C1
InChIInChI=1S/C13H29N3O2S/c1-4-14-7-5-6-8-15-19(17,18)13-10-16(11-13)9-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyZKWYUSJFWFBPQI-UHFFFAOYSA-N
MW291.46 g/mol
LogP0.64
Rot. Bonds10

About N-[4-(ethylamino)butyl]-1-(2-methylpropyl)azetidine-3-sulfonamide

N-[4-(ethylamino)butyl]-1-(2-methylpropyl)azetidine-3-sulfonamide (PubChem CID 170175572) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[4-(ethylamino)butyl]-1-(2-methylpropyl)azetidine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(ethylamino)butyl]-1-(2-methylpropyl)azetidine-3-sulfonamide
PubChem CID170175572
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC NameN-[4-(ethylamino)butyl]-1-(2-methylpropyl)azetidine-3-sulfonamide
SMILESCCNCCCCNS(=O)(=O)C1CN(CC(C)C)C1
InChIInChI=1S/C13H29N3O2S/c1-4-14-7-5-6-8-15-19(17,18)13-10-16(11-13)9-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyZKWYUSJFWFBPQI-UHFFFAOYSA-N
XLogP0.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(ethylamino)butyl]-1-(2-methylpropyl)azetidine-3-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

N-[6-(propan-2-ylamino)hexyl]-1-propylazetidine-3-sulfonamide
CID 170230841
1-ethyl-N-(6-propan-2-yloxyhexyl)azetidine-3-sulfonamide
CID 167300743
N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine
CID 62776961
N-ethyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine
CID 83981099
N-(4-hydroxypentyl)cyclopropanesulfonamide
CID 107271165
N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 66393443
N-(4-methoxybutyl)-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide
CID 155037372
N-ethyl-N'-(5-methylhexyl)ethane-1,2-diamine
CID 115326127
N-ethyl-5-methylhexan-1-amine;molecular hydrogen
CID 177161269
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
N-(7-methyloctyl)piperidine-3-sulfonamide
CID 107816777
N-(3-methylbutyl)pyrrolidine-3-sulfonamide
CID 65421561

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)butyl]-1-(2-methylpropyl)azetidine-3-sulfonamide?
The IUPAC name of N-[4-(ethylamino)butyl]-1-(2-methylpropyl)azetidine-3-sulfonamide (CID 170175572) is N-[4-(ethylamino)butyl]-1-(2-methylpropyl)azetidine-3-sulfonamide.
What is the SMILES notation for N-[4-(ethylamino)butyl]-1-(2-methylpropyl)azetidine-3-sulfonamide?
The canonical SMILES for N-[4-(ethylamino)butyl]-1-(2-methylpropyl)azetidine-3-sulfonamide is CCNCCCCNS(=O)(=O)C1CN(CC(C)C)C1.
What is the InChIKey of N-[4-(ethylamino)butyl]-1-(2-methylpropyl)azetidine-3-sulfonamide?
The InChIKey is ZKWYUSJFWFBPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-4-14-7-5-6-8-15-19(17,18)13-10-16(11-13)9-12(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of N-[4-(ethylamino)butyl]-1-(2-methylpropyl)azetidine-3-sulfonamide?
N-[4-(ethylamino)butyl]-1-(2-methylpropyl)azetidine-3-sulfonamide has a molecular weight of 291.46 g/mol, XLogP of 0.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)butyl]-1-(2-methylpropyl)azetidine-3-sulfonamide is sourced from PubChem (CID 170175572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).