1-methylsulfonyl-N-prop-2-enylazetidine-3-carboxamide

C8H14N2O3S — CID 90513052

IUPAC1-methylsulfonyl-N-prop-2-enylazetidine-3-carboxamide
SMILESC=CCNC(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C8H14N2O3S/c1-3-4-9-8(11)7-5-10(6-7)14(2,12)13/h3,7H,1,4-6H2,2H3,(H,9,11)
InChIKeyPVZMAUFMGLJZES-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.82
Rot. Bonds4

About 1-methylsulfonyl-N-prop-2-enylazetidine-3-carboxamide

1-methylsulfonyl-N-prop-2-enylazetidine-3-carboxamide (PubChem CID 90513052) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-methylsulfonyl-N-prop-2-enylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-prop-2-enylazetidine-3-carboxamide
PubChem CID90513052
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name1-methylsulfonyl-N-prop-2-enylazetidine-3-carboxamide
SMILESC=CCNC(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C8H14N2O3S/c1-3-4-9-8(11)7-5-10(6-7)14(2,12)13/h3,7H,1,4-6H2,2H3,(H,9,11)
InChIKeyPVZMAUFMGLJZES-UHFFFAOYSA-N
XLogP-0.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide
CID 7030681
1-hydroxy-N-prop-2-enylazetidine-3-carboxamide
CID 67355505
N-(3-methoxypropyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513055
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 110335758
(3R)-1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-3-carboxamide
CID 9207700
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide
CID 71785534
N-[(2,6-difluorophenyl)methyl]-1-methylsulfonylazetidine-3-carboxamide
CID 90513195
N-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylazetidine-3-carboxamide
CID 90513201
4-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide
CID 109144861
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide
CID 90513257
(3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 2266184
1-(4-propan-2-ylphenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
CID 40628999

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-prop-2-enylazetidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-prop-2-enylazetidine-3-carboxamide (CID 90513052) is 1-methylsulfonyl-N-prop-2-enylazetidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-prop-2-enylazetidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-prop-2-enylazetidine-3-carboxamide is C=CCNC(=O)C1CN(S(C)(=O)=O)C1.
What is the InChIKey of 1-methylsulfonyl-N-prop-2-enylazetidine-3-carboxamide?
The InChIKey is PVZMAUFMGLJZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-3-4-9-8(11)7-5-10(6-7)14(2,12)13/h3,7H,1,4-6H2,2H3,(H,9,11).
What are the key properties of 1-methylsulfonyl-N-prop-2-enylazetidine-3-carboxamide?
1-methylsulfonyl-N-prop-2-enylazetidine-3-carboxamide has a molecular weight of 218.28 g/mol, XLogP of -0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-prop-2-enylazetidine-3-carboxamide is sourced from PubChem (CID 90513052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).