[2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol

C16H20ClNO2S — CID 106359817

IUPAC[2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol
SMILESOCC1CCCCC1NC(c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C16H20ClNO2S/c17-15-8-7-14(21-15)16(13-6-3-9-20-13)18-12-5-2-1-4-11(12)10-19/h3,6-9,11-12,16,18-19H,1-2,4-5,10H2
InChIKeyKAFVMWKPBGADGQ-UHFFFAOYSA-N
MW325.86 g/mol
LogP4.22
Rot. Bonds5

About [2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol

[2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol (PubChem CID 106359817) has the molecular formula C16H20ClNO2S and a molecular weight of 325.86 g/mol. Its IUPAC name is [2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol
PubChem CID106359817
Molecular FormulaC16H20ClNO2S
Molecular Weight325.86 g/mol
Exact Mass325.09
IUPAC Name[2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol
SMILESOCC1CCCCC1NC(c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C16H20ClNO2S/c17-15-8-7-14(21-15)16(13-6-3-9-20-13)18-12-5-2-1-4-11(12)10-19/h3,6-9,11-12,16,18-19H,1-2,4-5,10H2
InChIKeyKAFVMWKPBGADGQ-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 [2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol?
The IUPAC name of [2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol (CID 106359817) is [2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol?
The canonical SMILES for [2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol is OCC1CCCCC1NC(c1ccco1)c1ccc(Cl)s1.
What is the InChIKey of [2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol?
The InChIKey is KAFVMWKPBGADGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2S/c17-15-8-7-14(21-15)16(13-6-3-9-20-13)18-12-5-2-1-4-11(12)10-19/h3,6-9,11-12,16,18-19H,1-2,4-5,10H2.
What are the key properties of [2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol?
[2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol 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 [2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 106359817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).