3-[[(5-methoxythiophen-2-yl)methylamino]methyl]thiolan-3-ol

C11H17NO2S2 — CID 115702721

IUPAC3-[[(5-methoxythiophen-2-yl)methylamino]methyl]thiolan-3-ol
SMILESCOc1ccc(CNCC2(O)CCSC2)s1
InChIInChI=1S/C11H17NO2S2/c1-14-10-3-2-9(16-10)6-12-7-11(13)4-5-15-8-11/h2-3,12-13H,4-8H2,1H3
InChIKeyFCEMILAQFBHRDU-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.71
Rot. Bonds5

About 3-[[(5-methoxythiophen-2-yl)methylamino]methyl]thiolan-3-ol

3-[[(5-methoxythiophen-2-yl)methylamino]methyl]thiolan-3-ol (PubChem CID 115702721) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-[[(5-methoxythiophen-2-yl)methylamino]methyl]thiolan-3-ol.

Molecular Properties

Compound Name3-[[(5-methoxythiophen-2-yl)methylamino]methyl]thiolan-3-ol
PubChem CID115702721
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC Name3-[[(5-methoxythiophen-2-yl)methylamino]methyl]thiolan-3-ol
SMILESCOc1ccc(CNCC2(O)CCSC2)s1
InChIInChI=1S/C11H17NO2S2/c1-14-10-3-2-9(16-10)6-12-7-11(13)4-5-15-8-11/h2-3,12-13H,4-8H2,1H3
InChIKeyFCEMILAQFBHRDU-UHFFFAOYSA-N
XLogP1.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(5-phenylthiophen-2-yl)methylamino]methyl]thiolan-3-ol
CID 111629595
3-[[(3-methoxyphenyl)methylamino]methyl]thiolan-3-ol
CID 111629704
(3R)-3-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]thiolan-3-ol
CID 99833176
1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 115702799
(3R)-3-[[(4-bromo-2-methoxyphenyl)methylamino]methyl]thiolan-3-ol
CID 97348734
3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol
CID 111629674
3-[[(2-methoxynaphthalen-1-yl)methylamino]methyl]thiolan-3-ol
CID 111629649
3-[[(3,4-dimethylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629682
3-[[(4-tert-butylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629681
3-[[(2,3-dimethylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629539
3-[[[5-(4-methylphenyl)furan-2-yl]methylamino]methyl]thiolan-3-ol
CID 111629715
3-[[(2-bromo-4-methylphenyl)methylamino]methyl]thiolan-3-ol
CID 84590124

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-methoxythiophen-2-yl)methylamino]methyl]thiolan-3-ol?
The IUPAC name of 3-[[(5-methoxythiophen-2-yl)methylamino]methyl]thiolan-3-ol (CID 115702721) is 3-[[(5-methoxythiophen-2-yl)methylamino]methyl]thiolan-3-ol.
What is the SMILES notation for 3-[[(5-methoxythiophen-2-yl)methylamino]methyl]thiolan-3-ol?
The canonical SMILES for 3-[[(5-methoxythiophen-2-yl)methylamino]methyl]thiolan-3-ol is COc1ccc(CNCC2(O)CCSC2)s1.
What is the InChIKey of 3-[[(5-methoxythiophen-2-yl)methylamino]methyl]thiolan-3-ol?
The InChIKey is FCEMILAQFBHRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-14-10-3-2-9(16-10)6-12-7-11(13)4-5-15-8-11/h2-3,12-13H,4-8H2,1H3.
What are the key properties of 3-[[(5-methoxythiophen-2-yl)methylamino]methyl]thiolan-3-ol?
3-[[(5-methoxythiophen-2-yl)methylamino]methyl]thiolan-3-ol has a molecular weight of 259.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-methoxythiophen-2-yl)methylamino]methyl]thiolan-3-ol is sourced from PubChem (CID 115702721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).