1-cyclopropylsulfonyl-N-(3-methoxypropyl)azetidine-3-carboxamide

C11H20N2O4S — CID 71785561

IUPAC1-cyclopropylsulfonyl-N-(3-methoxypropyl)azetidine-3-carboxamide
SMILESCOCCCNC(=O)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C11H20N2O4S/c1-17-6-2-5-12-11(14)9-7-13(8-9)18(15,16)10-3-4-10/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyROIGGYRVNXUTGU-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.44
Rot. Bonds7

About 1-cyclopropylsulfonyl-N-(3-methoxypropyl)azetidine-3-carboxamide

1-cyclopropylsulfonyl-N-(3-methoxypropyl)azetidine-3-carboxamide (PubChem CID 71785561) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-N-(3-methoxypropyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-N-(3-methoxypropyl)azetidine-3-carboxamide
PubChem CID71785561
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name1-cyclopropylsulfonyl-N-(3-methoxypropyl)azetidine-3-carboxamide
SMILESCOCCCNC(=O)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C11H20N2O4S/c1-17-6-2-5-12-11(14)9-7-13(8-9)18(15,16)10-3-4-10/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyROIGGYRVNXUTGU-UHFFFAOYSA-N
XLogP-0.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513055
(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7030670
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 110335830
N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3156754
N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide
CID 113218411
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
(2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94106905
4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146641
(3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 94869872
N-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687120
1-(4-bromophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 2295277

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-N-(3-methoxypropyl)azetidine-3-carboxamide?
The IUPAC name of 1-cyclopropylsulfonyl-N-(3-methoxypropyl)azetidine-3-carboxamide (CID 71785561) is 1-cyclopropylsulfonyl-N-(3-methoxypropyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropylsulfonyl-N-(3-methoxypropyl)azetidine-3-carboxamide?
The canonical SMILES for 1-cyclopropylsulfonyl-N-(3-methoxypropyl)azetidine-3-carboxamide is COCCCNC(=O)C1CN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropylsulfonyl-N-(3-methoxypropyl)azetidine-3-carboxamide?
The InChIKey is ROIGGYRVNXUTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-17-6-2-5-12-11(14)9-7-13(8-9)18(15,16)10-3-4-10/h9-10H,2-8H2,1H3,(H,12,14).
What are the key properties of 1-cyclopropylsulfonyl-N-(3-methoxypropyl)azetidine-3-carboxamide?
1-cyclopropylsulfonyl-N-(3-methoxypropyl)azetidine-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of -0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-N-(3-methoxypropyl)azetidine-3-carboxamide is sourced from PubChem (CID 71785561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).