N-(2-prop-2-enylsulfanylethyl)-1-thiophen-2-ylethanamine

C11H17NS2 — CID 115889063

IUPACN-(2-prop-2-enylsulfanylethyl)-1-thiophen-2-ylethanamine
SMILESC=CCSCCNC(C)c1cccs1
InChIInChI=1S/C11H17NS2/c1-3-7-13-9-6-12-10(2)11-5-4-8-14-11/h3-5,8,10,12H,1,6-7,9H2,2H3
InChIKeyACAFBGUBNPVRGQ-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.32
Rot. Bonds7

About N-(2-prop-2-enylsulfanylethyl)-1-thiophen-2-ylethanamine

N-(2-prop-2-enylsulfanylethyl)-1-thiophen-2-ylethanamine (PubChem CID 115889063) has the molecular formula C11H17NS2 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-(2-prop-2-enylsulfanylethyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-(2-prop-2-enylsulfanylethyl)-1-thiophen-2-ylethanamine
PubChem CID115889063
Molecular FormulaC11H17NS2
Molecular Weight227.40 g/mol
Exact Mass227.08
IUPAC NameN-(2-prop-2-enylsulfanylethyl)-1-thiophen-2-ylethanamine
SMILESC=CCSCCNC(C)c1cccs1
InChIInChI=1S/C11H17NS2/c1-3-7-13-9-6-12-10(2)11-5-4-8-14-11/h3-5,8,10,12H,1,6-7,9H2,2H3
InChIKeyACAFBGUBNPVRGQ-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(2-prop-2-enylsulfanylethyl)-1-pyridin-4-ylethanamine
CID 115889029
N-[2-(3-methoxypropylsulfanyl)ethyl]-1-thiophen-2-ylethanamine
CID 63856707
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylethanamine
CID 114791964
1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 115710733
(1S)-1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891288
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylethanamine
CID 103289964
1-(4-iodophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106425830
1-(4-chlorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 115889012
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
1-(2,3-difluorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 113352661
1-(3-bromophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 115667995
N-(2-prop-2-enylsulfanylethyl)-1-(1H-pyrazol-5-yl)ethanamine
CID 106425228

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enylsulfanylethyl)-1-thiophen-2-ylethanamine?
The IUPAC name of N-(2-prop-2-enylsulfanylethyl)-1-thiophen-2-ylethanamine (CID 115889063) is N-(2-prop-2-enylsulfanylethyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-(2-prop-2-enylsulfanylethyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for N-(2-prop-2-enylsulfanylethyl)-1-thiophen-2-ylethanamine is C=CCSCCNC(C)c1cccs1.
What is the InChIKey of N-(2-prop-2-enylsulfanylethyl)-1-thiophen-2-ylethanamine?
The InChIKey is ACAFBGUBNPVRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS2/c1-3-7-13-9-6-12-10(2)11-5-4-8-14-11/h3-5,8,10,12H,1,6-7,9H2,2H3.
What are the key properties of N-(2-prop-2-enylsulfanylethyl)-1-thiophen-2-ylethanamine?
N-(2-prop-2-enylsulfanylethyl)-1-thiophen-2-ylethanamine has a molecular weight of 227.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enylsulfanylethyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 115889063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).