N-(2-phenylsulfanylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine

C17H18N2S2 — CID 64829637

IUPACN-(2-phenylsulfanylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCC(NCCSc1ccccc1)c1cnc2ccsc2c1
InChIInChI=1S/C17H18N2S2/c1-13(14-11-17-16(19-12-14)7-9-21-17)18-8-10-20-15-5-3-2-4-6-15/h2-7,9,11-13,18H,8,10H2,1H3
InChIKeySQGCHPZSQNHWJX-UHFFFAOYSA-N
MW314.48 g/mol
LogP4.74
Rot. Bonds6

About N-(2-phenylsulfanylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine

N-(2-phenylsulfanylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 64829637) has the molecular formula C17H18N2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID64829637
Molecular FormulaC17H18N2S2
Molecular Weight314.48 g/mol
Exact Mass314.09
IUPAC NameN-(2-phenylsulfanylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCC(NCCSc1ccccc1)c1cnc2ccsc2c1
InChIInChI=1S/C17H18N2S2/c1-13(14-11-17-16(19-12-14)7-9-21-17)18-8-10-20-15-5-3-2-4-6-15/h2-7,9,11-13,18H,8,10H2,1H3
InChIKeySQGCHPZSQNHWJX-UHFFFAOYSA-N
XLogP4.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 54.74
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

N'-(1-thieno[3,2-b]pyridin-6-ylethyl)ethane-1,2-diamine
CID 64830566
1-phenyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethanol
CID 64830222
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine
CID 64830568
3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine
CID 64830936
N-[2-(2-methylpropoxy)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 115713730
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine
CID 64830758
2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid
CID 64828783
N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide
CID 64829172
N-(1-thieno[3,2-b]pyridin-6-ylethyl)pent-4-yn-1-amine
CID 103786961
2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine
CID 115717289
N-(2-cyclopentylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64831341
4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol
CID 64830374

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of N-(2-phenylsulfanylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 64829637) is N-(2-phenylsulfanylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for N-(2-phenylsulfanylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for N-(2-phenylsulfanylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine is CC(NCCSc1ccccc1)c1cnc2ccsc2c1.
What is the InChIKey of N-(2-phenylsulfanylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is SQGCHPZSQNHWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S2/c1-13(14-11-17-16(19-12-14)7-9-21-17)18-8-10-20-15-5-3-2-4-6-15/h2-7,9,11-13,18H,8,10H2,1H3.
What are the key properties of N-(2-phenylsulfanylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
N-(2-phenylsulfanylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 314.48 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 64829637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).