3-(3-methylsulfonylcyclohexylidene)cyclobutan-1-amine

C11H19NO2S — CID 103393964

IUPAC3-(3-methylsulfonylcyclohexylidene)cyclobutan-1-amine
SMILESCS(=O)(=O)C1CCCC(=C2CC(N)C2)C1
InChIInChI=1S/C11H19NO2S/c1-15(13,14)11-4-2-3-8(7-11)9-5-10(12)6-9/h10-11H,2-7,12H2,1H3/b9-8-
InChIKeyHYEJMKIFQRCGIH-HJWRWDBZSA-N
MW229.34 g/mol
LogP1.39
Rot. Bonds1

About 3-(3-methylsulfonylcyclohexylidene)cyclobutan-1-amine

3-(3-methylsulfonylcyclohexylidene)cyclobutan-1-amine (PubChem CID 103393964) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-(3-methylsulfonylcyclohexylidene)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methylsulfonylcyclohexylidene)cyclobutan-1-amine
PubChem CID103393964
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name3-(3-methylsulfonylcyclohexylidene)cyclobutan-1-amine
SMILESCS(=O)(=O)C1CCCC(=C2CC(N)C2)C1
InChIInChI=1S/C11H19NO2S/c1-15(13,14)11-4-2-3-8(7-11)9-5-10(12)6-9/h10-11H,2-7,12H2,1H3/b9-8-
InChIKeyHYEJMKIFQRCGIH-HJWRWDBZSA-N
XLogP1.39
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.39
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

3-(3-methylcyclohexylidene)cyclobutan-1-amine
CID 103394006
3-(3,4-dimethylcyclohexylidene)cyclohexan-1-amine
CID 79879726
3-(4-ethylcyclohexylidene)cyclopentan-1-amine
CID 79879182
1-ethyl-4-methylsulfonylcycloheptane
CID 58832068
cyclopropanamine;methanesulfonic acid
CID 87564973
(3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107976498
3-(6-oxaspiro[4.5]decan-9-ylidene)cyclohexan-1-amine
CID 79909071
3-(2-methylsulfonylethylsulfonyl)cyclohexan-1-one
CID 64724653
2-amino-1-(3-methylsulfonylcyclohexyl)ethanone
CID 116548386
trans-(1S,3S)-3-methylsulfonylcyclohexan-1-ol
CID 96581730
1-tert-butyl-3-methylsulfonylpiperidine
CID 59640673
1-ethylsulfonyl-3-methylidenecyclohexane
CID 91572063

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfonylcyclohexylidene)cyclobutan-1-amine?
The IUPAC name of 3-(3-methylsulfonylcyclohexylidene)cyclobutan-1-amine (CID 103393964) is 3-(3-methylsulfonylcyclohexylidene)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methylsulfonylcyclohexylidene)cyclobutan-1-amine?
The canonical SMILES for 3-(3-methylsulfonylcyclohexylidene)cyclobutan-1-amine is CS(=O)(=O)C1CCCC(=C2CC(N)C2)C1.
What is the InChIKey of 3-(3-methylsulfonylcyclohexylidene)cyclobutan-1-amine?
The InChIKey is HYEJMKIFQRCGIH-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-15(13,14)11-4-2-3-8(7-11)9-5-10(12)6-9/h10-11H,2-7,12H2,1H3/b9-8-.
What are the key properties of 3-(3-methylsulfonylcyclohexylidene)cyclobutan-1-amine?
3-(3-methylsulfonylcyclohexylidene)cyclobutan-1-amine has a molecular weight of 229.34 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfonylcyclohexylidene)cyclobutan-1-amine is sourced from PubChem (CID 103393964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).