3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol

C16H20ClNO2S — CID 106124333

IUPAC3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNC(c2ccco2)c2ccc(Cl)s2)C1
InChIInChI=1S/C16H20ClNO2S/c17-15-7-6-14(21-15)16(13-5-2-8-20-13)18-10-11-3-1-4-12(19)9-11/h2,5-8,11-12,16,18-19H,1,3-4,9-10H2
InChIKeyLRKWPMWRGLLHPG-UHFFFAOYSA-N
MW325.86 g/mol
LogP4.22
Rot. Bonds5

About 3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol

3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol (PubChem CID 106124333) has the molecular formula C16H20ClNO2S and a molecular weight of 325.86 g/mol. Its IUPAC name is 3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol
PubChem CID106124333
Molecular FormulaC16H20ClNO2S
Molecular Weight325.86 g/mol
Exact Mass325.09
IUPAC Name3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNC(c2ccco2)c2ccc(Cl)s2)C1
InChIInChI=1S/C16H20ClNO2S/c17-15-7-6-14(21-15)16(13-5-2-8-20-13)18-10-11-3-1-4-12(19)9-11/h2,5-8,11-12,16,18-19H,1,3-4,9-10H2
InChIKeyLRKWPMWRGLLHPG-UHFFFAOYSA-N
XLogP4.22
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.86
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol (CID 106124333) is 3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol is OC1CCCC(CNC(c2ccco2)c2ccc(Cl)s2)C1.
What is the InChIKey of 3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is LRKWPMWRGLLHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2S/c17-15-7-6-14(21-15)16(13-5-2-8-20-13)18-10-11-3-1-4-12(19)9-11/h2,5-8,11-12,16,18-19H,1,3-4,9-10H2.
What are the key properties of 3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol?
3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 325.86 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106124333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).