3-cyclobut-2-en-1-ylsulfonylpropan-1-amine

C7H13NO2S — CID 58685023

IUPAC3-cyclobut-2-en-1-ylsulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)C1C=CC1
InChIInChI=1S/C7H13NO2S/c8-5-2-6-11(9,10)7-3-1-4-7/h1,3,7H,2,4-6,8H2
InChIKeyFNKSUZSYCSCZFC-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.08
Rot. Bonds4

About 3-cyclobut-2-en-1-ylsulfonylpropan-1-amine

3-cyclobut-2-en-1-ylsulfonylpropan-1-amine (PubChem CID 58685023) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-cyclobut-2-en-1-ylsulfonylpropan-1-amine.

Molecular Properties

Compound Name3-cyclobut-2-en-1-ylsulfonylpropan-1-amine
PubChem CID58685023
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name3-cyclobut-2-en-1-ylsulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)C1C=CC1
InChIInChI=1S/C7H13NO2S/c8-5-2-6-11(9,10)7-3-1-4-7/h1,3,7H,2,4-6,8H2
InChIKeyFNKSUZSYCSCZFC-UHFFFAOYSA-N
XLogP0.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.08
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-(2-Aminoethanesulfonyl)prop-1-ene hydrochloride
CID 75480358
4-Ethylsulfonylbut-3-en-1-amine
CID 57031269
2-Cyclobut-2-en-1-ylsulfonylethanamine
CID 58684138
2-Cyclopent-2-en-1-ylsulfonylethanamine
CID 58684165
2-(4-Chlorocyclobut-2-en-1-yl)sulfonylethanamine
CID 58684185
3-[(E)-but-2-enyl]sulfonylpropan-1-amine
CID 58684292
3-Cyclobut-2-en-1-ylsulfinylpropan-1-amine
CID 58684311
3-But-3-enylsulfinylpropan-1-amine
CID 58684424
2-[(E)-pent-3-enyl]sulfonylethanamine
CID 58684437
3-Cyclopent-2-en-1-ylsulfonylpropan-1-amine
CID 58684489
2-Cyclopent-3-en-1-ylsulfonylethanamine
CID 58684514
3-Prop-2-enylsulfonylpropan-1-amine
CID 58684572

Frequently Asked Questions

What is the IUPAC name of 3-cyclobut-2-en-1-ylsulfonylpropan-1-amine?
The IUPAC name of 3-cyclobut-2-en-1-ylsulfonylpropan-1-amine (CID 58685023) is 3-cyclobut-2-en-1-ylsulfonylpropan-1-amine.
What is the SMILES notation for 3-cyclobut-2-en-1-ylsulfonylpropan-1-amine?
The canonical SMILES for 3-cyclobut-2-en-1-ylsulfonylpropan-1-amine is NCCCS(=O)(=O)C1C=CC1.
What is the InChIKey of 3-cyclobut-2-en-1-ylsulfonylpropan-1-amine?
The InChIKey is FNKSUZSYCSCZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c8-5-2-6-11(9,10)7-3-1-4-7/h1,3,7H,2,4-6,8H2.
What are the key properties of 3-cyclobut-2-en-1-ylsulfonylpropan-1-amine?
3-cyclobut-2-en-1-ylsulfonylpropan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobut-2-en-1-ylsulfonylpropan-1-amine is sourced from PubChem (CID 58685023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).