1-cyclopropyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamine

C12H19NS2 — CID 115676262

IUPAC1-cyclopropyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamine
SMILESCC(NCCSCc1ccsc1)C1CC1
InChIInChI=1S/C12H19NS2/c1-10(12-2-3-12)13-5-7-15-9-11-4-6-14-8-11/h4,6,8,10,12-13H,2-3,5,7,9H2,1H3
InChIKeyVFXIAIQJVGKQKI-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.37
Rot. Bonds7

About 1-cyclopropyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamine

1-cyclopropyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamine (PubChem CID 115676262) has the molecular formula C12H19NS2 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamine
PubChem CID115676262
Molecular FormulaC12H19NS2
Molecular Weight241.42 g/mol
Exact Mass241.10
IUPAC Name1-cyclopropyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamine
SMILESCC(NCCSCc1ccsc1)C1CC1
InChIInChI=1S/C12H19NS2/c1-10(12-2-3-12)13-5-7-15-9-11-4-6-14-8-11/h4,6,8,10,12-13H,2-3,5,7,9H2,1H3
InChIKeyVFXIAIQJVGKQKI-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopropylethyl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62560588
1-cyclopentyl-N-(thiophen-3-ylmethyl)ethanamine
CID 63247754
1-methoxy-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]butan-2-amine
CID 115712680
1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine
CID 62579053
N-(oxolan-3-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine
CID 115887244
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
N-(thiophen-2-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine
CID 115574180
1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol
CID 111755705
N-methyl-1-(4-propan-2-ylcyclohexyl)-2-thiophen-3-ylethanamine
CID 65423218
1-cyclopropyl-N-(2-phenylethyl)ethanamine
CID 43178582
3-cyclopropyl-1-thiophen-3-ylbutan-2-amine
CID 83155210
1-cyclopropyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine
CID 107757275

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamine (CID 115676262) is 1-cyclopropyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamine is CC(NCCSCc1ccsc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamine?
The InChIKey is VFXIAIQJVGKQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS2/c1-10(12-2-3-12)13-5-7-15-9-11-4-6-14-8-11/h4,6,8,10,12-13H,2-3,5,7,9H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamine?
1-cyclopropyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamine has a molecular weight of 241.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 115676262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).