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

C13H27N3O2S — CID 155037374

IUPACN-[4-(ethylamino)butyl]-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide
SMILESC=C(C)CN1CC(S(=O)(=O)NCCCCNCC)C1
InChIInChI=1S/C13H27N3O2S/c1-4-14-7-5-6-8-15-19(17,18)13-10-16(11-13)9-12(2)3/h13-15H,2,4-11H2,1,3H3
InChIKeyYWKMCWMUUYBERO-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.56
Rot. Bonds10

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

N-[4-(ethylamino)butyl]-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide (PubChem CID 155037374) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[4-(ethylamino)butyl]-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(ethylamino)butyl]-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide
PubChem CID155037374
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-[4-(ethylamino)butyl]-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide
SMILESC=C(C)CN1CC(S(=O)(=O)NCCCCNCC)C1
InChIInChI=1S/C13H27N3O2S/c1-4-14-7-5-6-8-15-19(17,18)13-10-16(11-13)9-12(2)3/h13-15H,2,4-11H2,1,3H3
InChIKeyYWKMCWMUUYBERO-UHFFFAOYSA-N
XLogP0.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)butyl]-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide?
The IUPAC name of N-[4-(ethylamino)butyl]-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide (CID 155037374) is N-[4-(ethylamino)butyl]-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide.
What is the SMILES notation for N-[4-(ethylamino)butyl]-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide?
The canonical SMILES for N-[4-(ethylamino)butyl]-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide is C=C(C)CN1CC(S(=O)(=O)NCCCCNCC)C1.
What is the InChIKey of N-[4-(ethylamino)butyl]-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide?
The InChIKey is YWKMCWMUUYBERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-4-14-7-5-6-8-15-19(17,18)13-10-16(11-13)9-12(2)3/h13-15H,2,4-11H2,1,3H3.
What are the key properties of N-[4-(ethylamino)butyl]-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide?
N-[4-(ethylamino)butyl]-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide has a molecular weight of 289.44 g/mol, XLogP of 0.56, 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-methylprop-2-enyl)azetidine-3-sulfonamide is sourced from PubChem (CID 155037374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).