3-but-3-enylsulfonylpropan-1-amine

C7H15NO2S — CID 58685057

IUPAC3-but-3-enylsulfonylpropan-1-amine
SMILESC=CCCS(=O)(=O)CCCN
InChIInChI=1S/C7H15NO2S/c1-2-3-6-11(9,10)7-4-5-8/h2H,1,3-8H2
InChIKeyUUOWYYGUDDEBOD-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.33
Rot. Bonds6

About 3-but-3-enylsulfonylpropan-1-amine

3-but-3-enylsulfonylpropan-1-amine (PubChem CID 58685057) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 3-but-3-enylsulfonylpropan-1-amine.

Molecular Properties

Compound Name3-but-3-enylsulfonylpropan-1-amine
PubChem CID58685057
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name3-but-3-enylsulfonylpropan-1-amine
SMILESC=CCCS(=O)(=O)CCCN
InChIInChI=1S/C7H15NO2S/c1-2-3-6-11(9,10)7-4-5-8/h2H,1,3-8H2
InChIKeyUUOWYYGUDDEBOD-UHFFFAOYSA-N
XLogP0.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.33
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-Amino-2,3-dihydro-1lambda6-thiophene-1,1-dione hydrochloride
CID 12844438
3-Amino-2,3-dihydrothiophene 1,1-dioxide
CID 2772218
3-(2-Aminoethanesulfonyl)prop-1-ene hydrochloride
CID 75480358
N-ethylbut-3-ene-1-sulfonamide
CID 130725638
3-(2-Fluoroprop-2-enylsulfonyl)propan-1-amine
CID 58685099
N-prop-2-enylbut-3-ene-1-sulfonamide
CID 84480039
N-but-3-enylprop-2-ene-1-sulfonamide
CID 116033650
(R)-3-Amino-2,3-dihydrothiophene 1,1-dioxide
CID 7059050
(3S)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 7059052
3-Ethenylsulfonylpropan-1-amine
CID 19078170
N-(1-methylsulfonylbut-3-enyl)methanesulfonamide
CID 22082529
3-Ethylsulfonylprop-2-en-1-amine
CID 56620607

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enylsulfonylpropan-1-amine?
The IUPAC name of 3-but-3-enylsulfonylpropan-1-amine (CID 58685057) is 3-but-3-enylsulfonylpropan-1-amine.
What is the SMILES notation for 3-but-3-enylsulfonylpropan-1-amine?
The canonical SMILES for 3-but-3-enylsulfonylpropan-1-amine is C=CCCS(=O)(=O)CCCN.
What is the InChIKey of 3-but-3-enylsulfonylpropan-1-amine?
The InChIKey is UUOWYYGUDDEBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-2-3-6-11(9,10)7-4-5-8/h2H,1,3-8H2.
What are the key properties of 3-but-3-enylsulfonylpropan-1-amine?
3-but-3-enylsulfonylpropan-1-amine has a molecular weight of 177.27 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enylsulfonylpropan-1-amine is sourced from PubChem (CID 58685057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).