N-ethyl-2-prop-2-enylsulfanylethanamine

C7H15NS — CID 106425909

IUPACN-ethyl-2-prop-2-enylsulfanylethanamine
SMILESC=CCSCCNCC
InChIInChI=1S/C7H15NS/c1-3-6-9-7-5-8-4-2/h3,8H,1,4-7H2,2H3
InChIKeyUNKAQNVWAIWOFU-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.52
Rot. Bonds6

About N-ethyl-2-prop-2-enylsulfanylethanamine

N-ethyl-2-prop-2-enylsulfanylethanamine (PubChem CID 106425909) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is N-ethyl-2-prop-2-enylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-2-prop-2-enylsulfanylethanamine
PubChem CID106425909
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC NameN-ethyl-2-prop-2-enylsulfanylethanamine
SMILESC=CCSCCNCC
InChIInChI=1S/C7H15NS/c1-3-6-9-7-5-8-4-2/h3,8H,1,4-7H2,2H3
InChIKeyUNKAQNVWAIWOFU-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.52
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

2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine
CID 20495465
Tetrahydro-1,4-thiazepine
CID 58044730
Vinylthiazolidine
CID 90729878
2-fluoro-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427472
3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
CID 106427514
2,2,2-trifluoro-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427545
2,2-difluoro-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427794
2-[(E)-but-2-enyl]sulfanylethanamine
CID 24693964
4-Prop-2-enylthiomorpholin-4-ium
CID 52141751
2-But-2-enylsulfanylethanamine
CID 54209603
1-(Prop-2-enylamino)ethanethiol
CID 57101483
2,3,4,7-Tetrahydro-1,4-thiazepine
CID 58044776

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-prop-2-enylsulfanylethanamine?
The IUPAC name of N-ethyl-2-prop-2-enylsulfanylethanamine (CID 106425909) is N-ethyl-2-prop-2-enylsulfanylethanamine.
What is the SMILES notation for N-ethyl-2-prop-2-enylsulfanylethanamine?
The canonical SMILES for N-ethyl-2-prop-2-enylsulfanylethanamine is C=CCSCCNCC.
What is the InChIKey of N-ethyl-2-prop-2-enylsulfanylethanamine?
The InChIKey is UNKAQNVWAIWOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-3-6-9-7-5-8-4-2/h3,8H,1,4-7H2,2H3.
What are the key properties of N-ethyl-2-prop-2-enylsulfanylethanamine?
N-ethyl-2-prop-2-enylsulfanylethanamine has a molecular weight of 145.27 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-prop-2-enylsulfanylethanamine is sourced from PubChem (CID 106425909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).