3-but-3-en-2-ylsulfonylpropan-1-amine

C7H15NO2S — CID 58684589

IUPAC3-but-3-en-2-ylsulfonylpropan-1-amine
SMILESC=CC(C)S(=O)(=O)CCCN
InChIInChI=1S/C7H15NO2S/c1-3-7(2)11(9,10)6-4-5-8/h3,7H,1,4-6,8H2,2H3
InChIKeyHOPCDJAXWAFZSW-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.32
Rot. Bonds5

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

3-but-3-en-2-ylsulfonylpropan-1-amine (PubChem CID 58684589) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 3-but-3-en-2-ylsulfonylpropan-1-amine.

Molecular Properties

Compound Name3-but-3-en-2-ylsulfonylpropan-1-amine
PubChem CID58684589
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name3-but-3-en-2-ylsulfonylpropan-1-amine
SMILESC=CC(C)S(=O)(=O)CCCN
InChIInChI=1S/C7H15NO2S/c1-3-7(2)11(9,10)6-4-5-8/h3,7H,1,4-6,8H2,2H3
InChIKeyHOPCDJAXWAFZSW-UHFFFAOYSA-N
XLogP0.32
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.32
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-(2-Aminoethanesulfonyl)prop-1-ene hydrochloride
CID 75480358
4-(Ethanesulfonyl)but-2-en-1-amine hydrochloride
CID 177798537
N-ethylbut-3-ene-1-sulfonamide
CID 130725638
3-Aminopropen-2-yl butylsulfone
CID 12356769
N-but-3-enylprop-2-ene-1-sulfonamide
CID 116033650
N-(2,3-dihydrothiophen-2-yl)methanesulfonamide
CID 18974994
N-(1-methylsulfonylbut-3-enyl)methanesulfonamide
CID 22082529
N-methyl-1-methylsulfonylbut-3-en-1-amine
CID 22082531
N-methyl-2-methylsulfonylpent-4-en-1-amine
CID 22082532
3-Ethylsulfonylprop-2-en-1-amine
CID 56620607
4-Ethylsulfonylbut-3-en-1-amine
CID 57031269

Frequently Asked Questions

What is the IUPAC name of 3-but-3-en-2-ylsulfonylpropan-1-amine?
The IUPAC name of 3-but-3-en-2-ylsulfonylpropan-1-amine (CID 58684589) is 3-but-3-en-2-ylsulfonylpropan-1-amine.
What is the SMILES notation for 3-but-3-en-2-ylsulfonylpropan-1-amine?
The canonical SMILES for 3-but-3-en-2-ylsulfonylpropan-1-amine is C=CC(C)S(=O)(=O)CCCN.
What is the InChIKey of 3-but-3-en-2-ylsulfonylpropan-1-amine?
The InChIKey is HOPCDJAXWAFZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-3-7(2)11(9,10)6-4-5-8/h3,7H,1,4-6,8H2,2H3.
What are the key properties of 3-but-3-en-2-ylsulfonylpropan-1-amine?
3-but-3-en-2-ylsulfonylpropan-1-amine has a molecular weight of 177.27 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-en-2-ylsulfonylpropan-1-amine is sourced from PubChem (CID 58684589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).