N-(thiophen-2-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine

C12H15NS3 — CID 115574180

IUPACN-(thiophen-2-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine
SMILESc1csc(CNCCSCc2ccsc2)c1
InChIInChI=1S/C12H15NS3/c1-2-12(16-5-1)8-13-4-7-15-10-11-3-6-14-9-11/h1-3,5-6,9,13H,4,7-8,10H2
InChIKeyFPHZJXJRTGYRPN-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.83
Rot. Bonds7

About N-(thiophen-2-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine

N-(thiophen-2-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine (PubChem CID 115574180) has the molecular formula C12H15NS3 and a molecular weight of 269.46 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine
PubChem CID115574180
Molecular FormulaC12H15NS3
Molecular Weight269.46 g/mol
Exact Mass269.04
IUPAC NameN-(thiophen-2-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine
SMILESc1csc(CNCCSCc2ccsc2)c1
InChIInChI=1S/C12H15NS3/c1-2-12(16-5-1)8-13-4-7-15-10-11-3-6-14-9-11/h1-3,5-6,9,13H,4,7-8,10H2
InChIKeyFPHZJXJRTGYRPN-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62579080
2-phenylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 60664664
N-(oxolan-3-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine
CID 115887244
2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 62565169
2-prop-2-enylsulfanyl-N-(thiophen-3-ylmethyl)ethanamine
CID 103647779
1-thiophen-3-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61222092
2-(3,5-dichlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 112736355
2-(2-chlorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62583170
2-N,6-N-bis[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridine-2,6-dicarboxamide
CID 39044507
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
3-phenyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28646753
2-methyl-1-(2-thiophen-2-ylethyl)-3-(thiophen-3-ylmethyl)guanidine
CID 111349622

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine?
The IUPAC name of N-(thiophen-2-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine (CID 115574180) is N-(thiophen-2-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine is c1csc(CNCCSCc2ccsc2)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine?
The InChIKey is FPHZJXJRTGYRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS3/c1-2-12(16-5-1)8-13-4-7-15-10-11-3-6-14-9-11/h1-3,5-6,9,13H,4,7-8,10H2.
What are the key properties of N-(thiophen-2-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine?
N-(thiophen-2-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine has a molecular weight of 269.46 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-2-(thiophen-3-ylmethylsulfanyl)ethanamine is sourced from PubChem (CID 115574180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).