2-prop-2-enylsulfanyl-N-(thiophen-3-ylmethyl)ethanamine

C10H15NS2 — CID 103647779

IUPAC2-prop-2-enylsulfanyl-N-(thiophen-3-ylmethyl)ethanamine
SMILESC=CCSCCNCc1ccsc1
InChIInChI=1S/C10H15NS2/c1-2-5-12-7-4-11-8-10-3-6-13-9-10/h2-3,6,9,11H,1,4-5,7-8H2
InChIKeyALIVIEDBJLGJAZ-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.76
Rot. Bonds7

About 2-prop-2-enylsulfanyl-N-(thiophen-3-ylmethyl)ethanamine

2-prop-2-enylsulfanyl-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 103647779) has the molecular formula C10H15NS2 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-prop-2-enylsulfanyl-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-prop-2-enylsulfanyl-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID103647779
Molecular FormulaC10H15NS2
Molecular Weight213.37 g/mol
Exact Mass213.06
IUPAC Name2-prop-2-enylsulfanyl-N-(thiophen-3-ylmethyl)ethanamine
SMILESC=CCSCCNCc1ccsc1
InChIInChI=1S/C10H15NS2/c1-2-5-12-7-4-11-8-10-3-6-13-9-10/h2-3,6,9,11H,1,4-5,7-8H2
InChIKeyALIVIEDBJLGJAZ-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.76
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-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 79278997
N-[(4-ethylphenyl)methyl]-2-prop-2-enylsulfanylethanamine;hydrochloride
CID 115615239
N-[(4-nitrophenyl)methyl]-2-prop-2-enylsulfanylethanamine
CID 103647770
N-[(4-fluoro-3-methylphenyl)methyl]-2-prop-2-enylsulfanylethanamine
CID 103647661
N-(thiophen-3-ylmethyl)-N',N'-bis[2-(thiophen-3-ylmethylamino)ethyl]ethane-1,2-diamine
CID 100933177
N-[(5-chlorothiophen-2-yl)methyl]-2-prop-2-enylsulfanylethanamine;hydrochloride
CID 115615198
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-prop-2-enylsulfanylethanamine
CID 115633744
N-(thiophen-2-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine
CID 115574180
N-[(2-chlorophenyl)methyl]-2-prop-2-enylsulfanylethanamine;hydrochloride
CID 115615220
2-prop-2-enylsulfanyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732342
N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride
CID 17332318
N-[(2,4-dimethylphenyl)methyl]-2-prop-2-enylsulfanylethanamine
CID 103647860

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanyl-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 2-prop-2-enylsulfanyl-N-(thiophen-3-ylmethyl)ethanamine (CID 103647779) is 2-prop-2-enylsulfanyl-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-prop-2-enylsulfanyl-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 2-prop-2-enylsulfanyl-N-(thiophen-3-ylmethyl)ethanamine is C=CCSCCNCc1ccsc1.
What is the InChIKey of 2-prop-2-enylsulfanyl-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is ALIVIEDBJLGJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS2/c1-2-5-12-7-4-11-8-10-3-6-13-9-10/h2-3,6,9,11H,1,4-5,7-8H2.
What are the key properties of 2-prop-2-enylsulfanyl-N-(thiophen-3-ylmethyl)ethanamine?
2-prop-2-enylsulfanyl-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 213.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanyl-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 103647779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).