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

C17H22N2OS — CID 104531158

IUPACN-[furan-2-yl(phenyl)methyl]-2-thiomorpholin-4-ylethanamine
SMILESc1ccc(C(NCCN2CCSCC2)c2ccco2)cc1
InChIInChI=1S/C17H22N2OS/c1-2-5-15(6-3-1)17(16-7-4-12-20-16)18-8-9-19-10-13-21-14-11-19/h1-7,12,17-18H,8-11,13-14H2
InChIKeyYLCQQYBDBSTNMG-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.01
Rot. Bonds6

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

N-[furan-2-yl(phenyl)methyl]-2-thiomorpholin-4-ylethanamine (PubChem CID 104531158) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-2-thiomorpholin-4-ylethanamine
PubChem CID104531158
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[furan-2-yl(phenyl)methyl]-2-thiomorpholin-4-ylethanamine
SMILESc1ccc(C(NCCN2CCSCC2)c2ccco2)cc1
InChIInChI=1S/C17H22N2OS/c1-2-5-15(6-3-1)17(16-7-4-12-20-16)18-8-9-19-10-13-21-14-11-19/h1-7,12,17-18H,8-11,13-14H2
InChIKeyYLCQQYBDBSTNMG-UHFFFAOYSA-N
XLogP3.01
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine
CID 43178931
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 106324998
1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
CID 114173711
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 8756076
3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine
CID 107095351
N-[furan-2-yl(phenyl)methyl]prop-2-en-1-amine
CID 43177085
2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide
CID 102675958
N-[furan-2-yl(phenyl)methyl]-5-methylsulfanylpentan-1-amine
CID 104926281
N-[furan-2-yl(phenyl)methyl]-2-prop-2-enylsulfanylethanamine
CID 104531327
1-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-2-amine
CID 103783250
2-amino-2-phenyl-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 103813654
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide
CID 8755288

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-2-thiomorpholin-4-ylethanamine?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-2-thiomorpholin-4-ylethanamine (CID 104531158) is N-[furan-2-yl(phenyl)methyl]-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-2-thiomorpholin-4-ylethanamine is c1ccc(C(NCCN2CCSCC2)c2ccco2)cc1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-2-thiomorpholin-4-ylethanamine?
The InChIKey is YLCQQYBDBSTNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-2-5-15(6-3-1)17(16-7-4-12-20-16)18-8-9-19-10-13-21-14-11-19/h1-7,12,17-18H,8-11,13-14H2.
What are the key properties of N-[furan-2-yl(phenyl)methyl]-2-thiomorpholin-4-ylethanamine?
N-[furan-2-yl(phenyl)methyl]-2-thiomorpholin-4-ylethanamine has a molecular weight of 302.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 104531158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).