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

C11H17NO2S — CID 111629674

IUPAC3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol
SMILESCc1ccoc1CNCC1(O)CCSC1
InChIInChI=1S/C11H17NO2S/c1-9-2-4-14-10(9)6-12-7-11(13)3-5-15-8-11/h2,4,12-13H,3,5-8H2,1H3
InChIKeyKLZPAYRFGIUVRK-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.55
Rot. Bonds4

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

3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol (PubChem CID 111629674) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol.

Molecular Properties

Compound Name3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol
PubChem CID111629674
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol
SMILESCc1ccoc1CNCC1(O)CCSC1
InChIInChI=1S/C11H17NO2S/c1-9-2-4-14-10(9)6-12-7-11(13)3-5-15-8-11/h2,4,12-13H,3,5-8H2,1H3
InChIKeyKLZPAYRFGIUVRK-UHFFFAOYSA-N
XLogP1.55
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol
CID 115654205
3-[[(3,4-dimethylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629682
N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 103724331
3-[[(2,3-dimethylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629539
(3S)-3-[[(3-chloro-4-methylphenyl)methylamino]methyl]thiolan-3-ol
CID 99844326
1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 115684793
N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 103753029
3-[[(4-tert-butylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629681
3-[[(5-methoxythiophen-2-yl)methylamino]methyl]thiolan-3-ol
CID 115702721
3-[[(2-bromo-4-methylphenyl)methylamino]methyl]thiolan-3-ol
CID 84590124
3-[[[5-(4-methylphenyl)furan-2-yl]methylamino]methyl]thiolan-3-ol
CID 111629715
1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 111466662

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol?
The IUPAC name of 3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol (CID 111629674) is 3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol.
What is the SMILES notation for 3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol?
The canonical SMILES for 3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol is Cc1ccoc1CNCC1(O)CCSC1.
What is the InChIKey of 3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol?
The InChIKey is KLZPAYRFGIUVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9-2-4-14-10(9)6-12-7-11(13)3-5-15-8-11/h2,4,12-13H,3,5-8H2,1H3.
What are the key properties of 3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol?
3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol has a molecular weight of 227.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol is sourced from PubChem (CID 111629674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).