N-(4-methoxybutyl)-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide

C12H24N2O3S — CID 155037372

IUPACN-(4-methoxybutyl)-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide
SMILESC=C(C)CN1CC(S(=O)(=O)NCCCCOC)C1
InChIInChI=1S/C12H24N2O3S/c1-11(2)8-14-9-12(10-14)18(15,16)13-6-4-5-7-17-3/h12-13H,1,4-10H2,2-3H3
InChIKeyDFLUNYAQLDOHED-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.59
Rot. Bonds9

About N-(4-methoxybutyl)-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide

N-(4-methoxybutyl)-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide (PubChem CID 155037372) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(4-methoxybutyl)-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide
PubChem CID155037372
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-(4-methoxybutyl)-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide
SMILESC=C(C)CN1CC(S(=O)(=O)NCCCCOC)C1
InChIInChI=1S/C12H24N2O3S/c1-11(2)8-14-9-12(10-14)18(15,16)13-6-4-5-7-17-3/h12-13H,1,4-10H2,2-3H3
InChIKeyDFLUNYAQLDOHED-UHFFFAOYSA-N
XLogP0.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.59
H-Bond Donors ≤ 51
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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Related Compounds

1-ethyl-N-(6-propan-2-yloxyhexyl)azetidine-3-sulfonamide
CID 167300743
N-cyclopentyl-1-(2-methylprop-2-enyl)piperidine-3-sulfonamide
CID 122138742
2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 114134652
N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide
CID 43827633
N-(5-methoxypentyl)methanesulfonamide
CID 103632034
N-[4-(ethylamino)butyl]-1-(2-methylpropyl)azetidine-3-sulfonamide
CID 170175572
N-[6-(propan-2-ylamino)hexyl]-1-propylazetidine-3-sulfonamide
CID 170230841
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
1-(3-methoxypropyl)-N-phenylazetidine-3-sulfonamide
CID 122143722
N-(3-hydroxy-4-methoxybutyl)cyclopentanesulfonamide
CID 103875926
4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106053929
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide?
The IUPAC name of N-(4-methoxybutyl)-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide (CID 155037372) is N-(4-methoxybutyl)-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide.
What is the SMILES notation for N-(4-methoxybutyl)-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide?
The canonical SMILES for N-(4-methoxybutyl)-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide is C=C(C)CN1CC(S(=O)(=O)NCCCCOC)C1.
What is the InChIKey of N-(4-methoxybutyl)-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide?
The InChIKey is DFLUNYAQLDOHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-11(2)8-14-9-12(10-14)18(15,16)13-6-4-5-7-17-3/h12-13H,1,4-10H2,2-3H3.
What are the key properties of N-(4-methoxybutyl)-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide?
N-(4-methoxybutyl)-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-1-(2-methylprop-2-enyl)azetidine-3-sulfonamide is sourced from PubChem (CID 155037372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).