N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine

C15H19ClN2OS2 — CID 106324998

IUPACN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
SMILESClc1ccc(C(NCCN2CCSCC2)c2ccco2)s1
InChIInChI=1S/C15H19ClN2OS2/c16-14-4-3-13(21-14)15(12-2-1-9-19-12)17-5-6-18-7-10-20-11-8-18/h1-4,9,15,17H,5-8,10-11H2
InChIKeyHGDHQYDCUVCKBN-UHFFFAOYSA-N
MW342.92 g/mol
LogP3.72
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine

N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine (PubChem CID 106324998) has the molecular formula C15H19ClN2OS2 and a molecular weight of 342.92 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
PubChem CID106324998
Molecular FormulaC15H19ClN2OS2
Molecular Weight342.92 g/mol
Exact Mass342.06
IUPAC NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
SMILESClc1ccc(C(NCCN2CCSCC2)c2ccco2)s1
InChIInChI=1S/C15H19ClN2OS2/c16-14-4-3-13(21-14)15(12-2-1-9-19-12)17-5-6-18-7-10-20-11-8-18/h1-4,9,15,17H,5-8,10-11H2
InChIKeyHGDHQYDCUVCKBN-UHFFFAOYSA-N
XLogP3.72
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.92
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[furan-2-yl(phenyl)methyl]-2-thiomorpholin-4-ylethanamine
CID 104531158
N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine
CID 60895734
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine
CID 61324706
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine
CID 63450559
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine
CID 115566785
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-methylpiperazin-1-amine
CID 83008954
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106007751
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine
CID 62694537
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-ethylethanesulfonamide
CID 106334631
1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
CID 106009564
3-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2,2-dimethylpropan-1-ol
CID 115359136
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104759481

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine (CID 106324998) is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine is Clc1ccc(C(NCCN2CCSCC2)c2ccco2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine?
The InChIKey is HGDHQYDCUVCKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS2/c16-14-4-3-13(21-14)15(12-2-1-9-19-12)17-5-6-18-7-10-20-11-8-18/h1-4,9,15,17H,5-8,10-11H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine?
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine has a molecular weight of 342.92 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 106324998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).