N-prop-2-enyl-1-prop-2-enylsulfonylprop-2-en-1-amine

C9H15NO2S — CID 173111509

IUPACN-prop-2-enyl-1-prop-2-enylsulfonylprop-2-en-1-amine
SMILESC=CCNC(C=C)S(=O)(=O)CC=C
InChIInChI=1S/C9H15NO2S/c1-4-7-10-9(6-3)13(11,12)8-5-2/h4-6,9-10H,1-3,7-8H2
InChIKeyBUUSSFRWDXOEID-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.87
Rot. Bonds7

About N-prop-2-enyl-1-prop-2-enylsulfonylprop-2-en-1-amine

N-prop-2-enyl-1-prop-2-enylsulfonylprop-2-en-1-amine (PubChem CID 173111509) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is N-prop-2-enyl-1-prop-2-enylsulfonylprop-2-en-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-1-prop-2-enylsulfonylprop-2-en-1-amine
PubChem CID173111509
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC NameN-prop-2-enyl-1-prop-2-enylsulfonylprop-2-en-1-amine
SMILESC=CCNC(C=C)S(=O)(=O)CC=C
InChIInChI=1S/C9H15NO2S/c1-4-7-10-9(6-3)13(11,12)8-5-2/h4-6,9-10H,1-3,7-8H2
InChIKeyBUUSSFRWDXOEID-UHFFFAOYSA-N
XLogP0.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1-prop-2-enylsulfonylprop-2-en-1-amine?
The IUPAC name of N-prop-2-enyl-1-prop-2-enylsulfonylprop-2-en-1-amine (CID 173111509) is N-prop-2-enyl-1-prop-2-enylsulfonylprop-2-en-1-amine.
What is the SMILES notation for N-prop-2-enyl-1-prop-2-enylsulfonylprop-2-en-1-amine?
The canonical SMILES for N-prop-2-enyl-1-prop-2-enylsulfonylprop-2-en-1-amine is C=CCNC(C=C)S(=O)(=O)CC=C.
What is the InChIKey of N-prop-2-enyl-1-prop-2-enylsulfonylprop-2-en-1-amine?
The InChIKey is BUUSSFRWDXOEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-4-7-10-9(6-3)13(11,12)8-5-2/h4-6,9-10H,1-3,7-8H2.
What are the key properties of N-prop-2-enyl-1-prop-2-enylsulfonylprop-2-en-1-amine?
N-prop-2-enyl-1-prop-2-enylsulfonylprop-2-en-1-amine has a molecular weight of 201.29 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1-prop-2-enylsulfonylprop-2-en-1-amine is sourced from PubChem (CID 173111509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).