4-prop-2-enylsulfonylbutan-2-amine

C7H15NO2S — CID 58684475

IUPAC4-prop-2-enylsulfonylbutan-2-amine
SMILESC=CCS(=O)(=O)CCC(C)N
InChIInChI=1S/C7H15NO2S/c1-3-5-11(9,10)6-4-7(2)8/h3,7H,1,4-6,8H2,2H3
InChIKeyOOAYWUFYUJKRBO-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.32
Rot. Bonds5

About 4-prop-2-enylsulfonylbutan-2-amine

4-prop-2-enylsulfonylbutan-2-amine (PubChem CID 58684475) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 4-prop-2-enylsulfonylbutan-2-amine.

Molecular Properties

Compound Name4-prop-2-enylsulfonylbutan-2-amine
PubChem CID58684475
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name4-prop-2-enylsulfonylbutan-2-amine
SMILESC=CCS(=O)(=O)CCC(C)N
InChIInChI=1S/C7H15NO2S/c1-3-5-11(9,10)6-4-7(2)8/h3,7H,1,4-6,8H2,2H3
InChIKeyOOAYWUFYUJKRBO-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
3-Aminopropen-2-yl butylsulfone
CID 12356769
1-(Ethanesulfonyl)propan-2-amine
CID 54593158
3-Ethylsulfonylprop-2-en-1-amine
CID 56620607
4-Ethylsulfonylbut-3-en-1-amine
CID 57031269
3-(2-Methylprop-2-enylsulfonyl)propan-1-amine
CID 58684037
3-[(E)-but-2-enyl]sulfonylpropan-1-amine
CID 58684292
4-Prop-2-enylsulfinylbutan-2-amine
CID 58684301
3-Prop-2-enylsulfinylbutan-1-amine
CID 58684374
3-[(E)-but-2-enyl]sulfinylpropan-1-amine
CID 58684397

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylsulfonylbutan-2-amine?
The IUPAC name of 4-prop-2-enylsulfonylbutan-2-amine (CID 58684475) is 4-prop-2-enylsulfonylbutan-2-amine.
What is the SMILES notation for 4-prop-2-enylsulfonylbutan-2-amine?
The canonical SMILES for 4-prop-2-enylsulfonylbutan-2-amine is C=CCS(=O)(=O)CCC(C)N.
What is the InChIKey of 4-prop-2-enylsulfonylbutan-2-amine?
The InChIKey is OOAYWUFYUJKRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-3-5-11(9,10)6-4-7(2)8/h3,7H,1,4-6,8H2,2H3.
What are the key properties of 4-prop-2-enylsulfonylbutan-2-amine?
4-prop-2-enylsulfonylbutan-2-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 4-prop-2-enylsulfonylbutan-2-amine is sourced from PubChem (CID 58684475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).