3-[[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]methyl]oxolan-3-ol

C14H16ClNO2S2 — CID 106099922

IUPAC3-[[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]methyl]oxolan-3-ol
SMILESOC1(CNC(c2cccs2)c2ccc(Cl)s2)CCOC1
InChIInChI=1S/C14H16ClNO2S2/c15-12-4-3-11(20-12)13(10-2-1-7-19-10)16-8-14(17)5-6-18-9-14/h1-4,7,13,16-17H,5-6,8-9H2
InChIKeyZWAQMNHSPAWGFA-UHFFFAOYSA-N
MW329.87 g/mol
LogP3.29
Rot. Bonds5

About 3-[[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]methyl]oxolan-3-ol

3-[[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]methyl]oxolan-3-ol (PubChem CID 106099922) has the molecular formula C14H16ClNO2S2 and a molecular weight of 329.87 g/mol. Its IUPAC name is 3-[[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]methyl]oxolan-3-ol
PubChem CID106099922
Molecular FormulaC14H16ClNO2S2
Molecular Weight329.87 g/mol
Exact Mass329.03
IUPAC Name3-[[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]methyl]oxolan-3-ol
SMILESOC1(CNC(c2cccs2)c2ccc(Cl)s2)CCOC1
InChIInChI=1S/C14H16ClNO2S2/c15-12-4-3-11(20-12)13(10-2-1-7-19-10)16-8-14(17)5-6-18-9-14/h1-4,7,13,16-17H,5-6,8-9H2
InChIKeyZWAQMNHSPAWGFA-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]methyl]oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 106101319
3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol
CID 65146101
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methoxyethanamine
CID 43756293
3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol
CID 103904866
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine
CID 43767499
2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol
CID 79254049
3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol
CID 103904766
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936566
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-5,5,5-trifluoropentan-1-amine
CID 115517345
1-(5-chlorothiophen-2-yl)-N-(pyridazin-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 106895048
[4-(aminomethyl)oxan-4-yl]-(5-chlorothiophen-2-yl)methanol
CID 79138820

Frequently Asked Questions

What is the IUPAC name of 3-[[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]methyl]oxolan-3-ol (CID 106099922) is 3-[[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]methyl]oxolan-3-ol is OC1(CNC(c2cccs2)c2ccc(Cl)s2)CCOC1.
What is the InChIKey of 3-[[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]methyl]oxolan-3-ol?
The InChIKey is ZWAQMNHSPAWGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S2/c15-12-4-3-11(20-12)13(10-2-1-7-19-10)16-8-14(17)5-6-18-9-14/h1-4,7,13,16-17H,5-6,8-9H2.
What are the key properties of 3-[[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]methyl]oxolan-3-ol?
3-[[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]methyl]oxolan-3-ol has a molecular weight of 329.87 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106099922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).