prop-2-en-1-amine;3-prop-2-enylsulfinylprop-1-ene

C9H17NOS — CID 175558355

IUPACprop-2-en-1-amine;3-prop-2-enylsulfinylprop-1-ene
SMILESC=CCN.C=CCS(=O)CC=C
InChIInChI=1S/C6H10OS.C3H7N/c1-3-5-8(7)6-4-2;1-2-3-4/h3-4H,1-2,5-6H2;2H,1,3-4H2
InChIKeyQHUUGYFSOARWQN-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.24
Rot. Bonds5

About prop-2-en-1-amine;3-prop-2-enylsulfinylprop-1-ene

prop-2-en-1-amine;3-prop-2-enylsulfinylprop-1-ene (PubChem CID 175558355) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is prop-2-en-1-amine;3-prop-2-enylsulfinylprop-1-ene.

Molecular Properties

Compound Nameprop-2-en-1-amine;3-prop-2-enylsulfinylprop-1-ene
PubChem CID175558355
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Nameprop-2-en-1-amine;3-prop-2-enylsulfinylprop-1-ene
SMILESC=CCN.C=CCS(=O)CC=C
InChIInChI=1S/C6H10OS.C3H7N/c1-3-5-8(7)6-4-2;1-2-3-4/h3-4H,1-2,5-6H2;2H,1,3-4H2
InChIKeyQHUUGYFSOARWQN-UHFFFAOYSA-N
XLogP1.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-but-2-enyl]sulfinylethanamine
CID 58684340
3-Prop-2-enylsulfinylbutan-1-amine
CID 58684374
3-[(E)-but-2-enyl]sulfinylpropan-1-amine
CID 58684397
3-But-3-enylsulfinylpropan-1-amine
CID 58684424
3-Prop-2-enylsulfinylpropan-1-amine
CID 58684512
2-Prop-2-enylsulfinylethanamine
CID 58684853
2-But-3-enylsulfinylethanamine
CID 58684942
3-(2-Aminoethanesulfonyl)prop-1-ene
CID 58685067
1-(1-Aminoprop-2-enylsulfinyl)prop-2-en-1-amine
CID 88656029
3-Methylsulfinylpropan-1-amine;3-prop-2-enylsulfinylpropan-1-amine
CID 159301390
(E)-N-(2-ethylsulfinylethyl)but-2-en-1-amine
CID 107899280
2-[(2Z,4Z)-hexa-2,4-dienyl]sulfinylethanamine
CID 142099396

Frequently Asked Questions

What is the IUPAC name of prop-2-en-1-amine;3-prop-2-enylsulfinylprop-1-ene?
The IUPAC name of prop-2-en-1-amine;3-prop-2-enylsulfinylprop-1-ene (CID 175558355) is prop-2-en-1-amine;3-prop-2-enylsulfinylprop-1-ene.
What is the SMILES notation for prop-2-en-1-amine;3-prop-2-enylsulfinylprop-1-ene?
The canonical SMILES for prop-2-en-1-amine;3-prop-2-enylsulfinylprop-1-ene is C=CCN.C=CCS(=O)CC=C.
What is the InChIKey of prop-2-en-1-amine;3-prop-2-enylsulfinylprop-1-ene?
The InChIKey is QHUUGYFSOARWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS.C3H7N/c1-3-5-8(7)6-4-2;1-2-3-4/h3-4H,1-2,5-6H2;2H,1,3-4H2.
What are the key properties of prop-2-en-1-amine;3-prop-2-enylsulfinylprop-1-ene?
prop-2-en-1-amine;3-prop-2-enylsulfinylprop-1-ene has a molecular weight of 187.31 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-en-1-amine;3-prop-2-enylsulfinylprop-1-ene is sourced from PubChem (CID 175558355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).