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

C16H19NO3S — CID 75518592

IUPAC3-[[(5-phenoxyfuran-2-yl)methylamino]methyl]thiolan-3-ol
SMILESOC1(CNCc2ccc(Oc3ccccc3)o2)CCSC1
InChIInChI=1S/C16H19NO3S/c18-16(8-9-21-12-16)11-17-10-14-6-7-15(20-14)19-13-4-2-1-3-5-13/h1-7,17-18H,8-12H2
InChIKeyMCDVZWLGTCLHQU-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.03
Rot. Bonds6

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

3-[[(5-phenoxyfuran-2-yl)methylamino]methyl]thiolan-3-ol (PubChem CID 75518592) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-[[(5-phenoxyfuran-2-yl)methylamino]methyl]thiolan-3-ol.

Molecular Properties

Compound Name3-[[(5-phenoxyfuran-2-yl)methylamino]methyl]thiolan-3-ol
PubChem CID75518592
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name3-[[(5-phenoxyfuran-2-yl)methylamino]methyl]thiolan-3-ol
SMILESOC1(CNCc2ccc(Oc3ccccc3)o2)CCSC1
InChIInChI=1S/C16H19NO3S/c18-16(8-9-21-12-16)11-17-10-14-6-7-15(20-14)19-13-4-2-1-3-5-13/h1-7,17-18H,8-12H2
InChIKeyMCDVZWLGTCLHQU-UHFFFAOYSA-N
XLogP3.03
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[[5-(4-methylphenyl)furan-2-yl]methylamino]methyl]thiolan-3-ol
CID 111629715
4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]thian-4-ol
CID 111467012
3-[[(3-methoxyphenyl)methylamino]methyl]thiolan-3-ol
CID 111629704
3-[[(5-phenylthiophen-2-yl)methylamino]methyl]thiolan-3-ol
CID 111629595
3-[(pyridin-2-ylmethylamino)methyl]thiolan-3-ol
CID 111629685
3-[[(5-methoxythiophen-2-yl)methylamino]methyl]thiolan-3-ol
CID 115702721
1-methoxy-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol
CID 110019088
3-[[(2-methoxynaphthalen-1-yl)methylamino]methyl]thiolan-3-ol
CID 111629649
3-[[(2,3-dimethylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629539
3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol
CID 111629674
3-[[(4-tert-butylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629681
3-[[(3,4-dimethylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629682

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-phenoxyfuran-2-yl)methylamino]methyl]thiolan-3-ol?
The IUPAC name of 3-[[(5-phenoxyfuran-2-yl)methylamino]methyl]thiolan-3-ol (CID 75518592) is 3-[[(5-phenoxyfuran-2-yl)methylamino]methyl]thiolan-3-ol.
What is the SMILES notation for 3-[[(5-phenoxyfuran-2-yl)methylamino]methyl]thiolan-3-ol?
The canonical SMILES for 3-[[(5-phenoxyfuran-2-yl)methylamino]methyl]thiolan-3-ol is OC1(CNCc2ccc(Oc3ccccc3)o2)CCSC1.
What is the InChIKey of 3-[[(5-phenoxyfuran-2-yl)methylamino]methyl]thiolan-3-ol?
The InChIKey is MCDVZWLGTCLHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c18-16(8-9-21-12-16)11-17-10-14-6-7-15(20-14)19-13-4-2-1-3-5-13/h1-7,17-18H,8-12H2.
What are the key properties of 3-[[(5-phenoxyfuran-2-yl)methylamino]methyl]thiolan-3-ol?
3-[[(5-phenoxyfuran-2-yl)methylamino]methyl]thiolan-3-ol has a molecular weight of 305.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-phenoxyfuran-2-yl)methylamino]methyl]thiolan-3-ol is sourced from PubChem (CID 75518592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).