N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine

C15H18ClNOS — CID 43756023

IUPACN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine
SMILESClc1ccc(C(NC2CCCCC2)c2ccco2)s1
InChIInChI=1S/C15H18ClNOS/c16-14-9-8-13(19-14)15(12-7-4-10-18-12)17-11-5-2-1-3-6-11/h4,7-11,15,17H,1-3,5-6H2
InChIKeyJPFOLJZSBXOFQD-UHFFFAOYSA-N
MW295.83 g/mol
LogP5.01
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine

N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine (PubChem CID 43756023) has the molecular formula C15H18ClNOS and a molecular weight of 295.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine
PubChem CID43756023
Molecular FormulaC15H18ClNOS
Molecular Weight295.83 g/mol
Exact Mass295.08
IUPAC NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine
SMILESClc1ccc(C(NC2CCCCC2)c2ccco2)s1
InChIInChI=1S/C15H18ClNOS/c16-14-9-8-13(19-14)15(12-7-4-10-18-12)17-11-5-2-1-3-6-11/h4,7-11,15,17H,1-3,5-6H2
InChIKeyJPFOLJZSBXOFQD-UHFFFAOYSA-N
XLogP5.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.83
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine with MolForge

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Related Compounds

N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine
CID 43756508
[2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol
CID 106359817
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine
CID 63450559
[2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclopentyl]methanol
CID 106359565
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63995263
N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine
CID 43427139
1-(5-chlorothiophen-2-yl)-N-[(1,1-dioxothiolan-2-yl)methyl]-1-(furan-2-yl)methanamine
CID 81043163
3-[[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 106124333
3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline
CID 43760360
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-methylpiperazin-1-amine
CID 83008954
N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine
CID 60895734
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]but-3-yn-2-amine
CID 114415106

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine (CID 43756023) is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine is Clc1ccc(C(NC2CCCCC2)c2ccco2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine?
The InChIKey is JPFOLJZSBXOFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c16-14-9-8-13(19-14)15(12-7-4-10-18-12)17-11-5-2-1-3-6-11/h4,7-11,15,17H,1-3,5-6H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine?
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine has a molecular weight of 295.83 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine is sourced from PubChem (CID 43756023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).