3-(2-methylprop-2-enylsulfonyl)propan-1-amine

C7H15NO2S — CID 58684037

IUPAC3-(2-methylprop-2-enylsulfonyl)propan-1-amine
SMILESC=C(C)CS(=O)(=O)CCCN
InChIInChI=1S/C7H15NO2S/c1-7(2)6-11(9,10)5-3-4-8/h1,3-6,8H2,2H3
InChIKeyBQEVHVUGEPNSJO-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.33
Rot. Bonds5

About 3-(2-methylprop-2-enylsulfonyl)propan-1-amine

3-(2-methylprop-2-enylsulfonyl)propan-1-amine (PubChem CID 58684037) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 3-(2-methylprop-2-enylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methylprop-2-enylsulfonyl)propan-1-amine
PubChem CID58684037
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name3-(2-methylprop-2-enylsulfonyl)propan-1-amine
SMILESC=C(C)CS(=O)(=O)CCCN
InChIInChI=1S/C7H15NO2S/c1-7(2)6-11(9,10)5-3-4-8/h1,3-6,8H2,2H3
InChIKeyBQEVHVUGEPNSJO-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
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-(Ethanesulfonyl)propan-1-amine
CID 21458690
2-(2-Aminoethanesulfonyl)-2-methylpropane
CID 43444511
2-(2-Fluoroprop-2-enylsulfonyl)ethanamine
CID 58684671
3-(2-Fluoroprop-2-enylsulfonyl)propan-1-amine
CID 58685099
3-Aminopropen-2-yl butylsulfone
CID 12356769
3-Propylsulfonylpropan-1-amine
CID 20792595
3-(2-Methylpropane-2-sulfonyl)propan-1-amine
CID 21458678
1-(Butylsulfonyl)eth-2-ylamine
CID 21749622
2-(Propylsulfonyl)ethanamine
CID 22017896
2-(Isobutylsulfonyl)ethanamine
CID 33780198
3-Propan-2-ylsulfonylpropan-1-amine
CID 39236043
2-Butan-2-ylsulfonylethanamine
CID 43444509

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enylsulfonyl)propan-1-amine?
The IUPAC name of 3-(2-methylprop-2-enylsulfonyl)propan-1-amine (CID 58684037) is 3-(2-methylprop-2-enylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(2-methylprop-2-enylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(2-methylprop-2-enylsulfonyl)propan-1-amine is C=C(C)CS(=O)(=O)CCCN.
What is the InChIKey of 3-(2-methylprop-2-enylsulfonyl)propan-1-amine?
The InChIKey is BQEVHVUGEPNSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7(2)6-11(9,10)5-3-4-8/h1,3-6,8H2,2H3.
What are the key properties of 3-(2-methylprop-2-enylsulfonyl)propan-1-amine?
3-(2-methylprop-2-enylsulfonyl)propan-1-amine has a molecular weight of 177.27 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enylsulfonyl)propan-1-amine is sourced from PubChem (CID 58684037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).