N-ethyl-3-prop-2-enylsulfinylpropan-1-amine

C8H17NOS — CID 13493121

IUPACN-ethyl-3-prop-2-enylsulfinylpropan-1-amine
SMILESC=CCS(=O)CCCNCC
InChIInChI=1S/C8H17NOS/c1-3-7-11(10)8-5-6-9-4-2/h3,9H,1,4-8H2,2H3
InChIKeyHZDWYCAKUNKBJB-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.92
Rot. Bonds7

About N-ethyl-3-prop-2-enylsulfinylpropan-1-amine

N-ethyl-3-prop-2-enylsulfinylpropan-1-amine (PubChem CID 13493121) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N-ethyl-3-prop-2-enylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-prop-2-enylsulfinylpropan-1-amine
PubChem CID13493121
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-ethyl-3-prop-2-enylsulfinylpropan-1-amine
SMILESC=CCS(=O)CCCNCC
InChIInChI=1S/C8H17NOS/c1-3-7-11(10)8-5-6-9-4-2/h3,9H,1,4-8H2,2H3
InChIKeyHZDWYCAKUNKBJB-UHFFFAOYSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-ethyl-2-fluoro-3-[(2E,4Z)-hexa-2,4-dien-3-yl]sulfinylpropan-1-amine
CID 152890764
N-ethyl-3-propylsulfinylpropan-1-amine
CID 15066866
3-methylsulfonyl-N-prop-2-enylpropan-1-amine
CID 62140502
ethyl(3-(S*)-propylsulfinyl)propylamine
CID 86745130
1-methylsulfanylbutane;N-prop-2-enylpropan-1-amine
CID 141979838
N-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine
CID 163669100
3-(3-ethenylsulfonylpropylsulfanyl)-N-propylpropan-1-amine
CID 167165865
N-pentyl-4-prop-2-enylsulfanylpentan-1-amine
CID 173230807
N-ethyl-3-prop-2-enylsulfanylpropan-1-amine
CID 13493114
N-(2-butan-2-ylsulfanylethyl)prop-2-en-1-amine
CID 62577346
2-(2-methylpropylsulfanyl)-N-prop-2-enylpropan-1-amine
CID 62577354
N-prop-2-enyl-2-propylsulfanylpropan-1-amine
CID 62577543

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-prop-2-enylsulfinylpropan-1-amine?
The IUPAC name of N-ethyl-3-prop-2-enylsulfinylpropan-1-amine (CID 13493121) is N-ethyl-3-prop-2-enylsulfinylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-prop-2-enylsulfinylpropan-1-amine?
The canonical SMILES for N-ethyl-3-prop-2-enylsulfinylpropan-1-amine is C=CCS(=O)CCCNCC.
What is the InChIKey of N-ethyl-3-prop-2-enylsulfinylpropan-1-amine?
The InChIKey is HZDWYCAKUNKBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-3-7-11(10)8-5-6-9-4-2/h3,9H,1,4-8H2,2H3.
What are the key properties of N-ethyl-3-prop-2-enylsulfinylpropan-1-amine?
N-ethyl-3-prop-2-enylsulfinylpropan-1-amine has a molecular weight of 175.30 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-prop-2-enylsulfinylpropan-1-amine is sourced from PubChem (CID 13493121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).