N-ethyl-N-(furan-2-ylmethyl)-2-thiomorpholin-3-ylethanamine

C13H22N2OS — CID 66422161

IUPACN-ethyl-N-(furan-2-ylmethyl)-2-thiomorpholin-3-ylethanamine
SMILESCCN(CCC1CSCCN1)Cc1ccco1
InChIInChI=1S/C13H22N2OS/c1-2-15(10-13-4-3-8-16-13)7-5-12-11-17-9-6-14-12/h3-4,8,12,14H,2,5-7,9-11H2,1H3
InChIKeyQBOOLTHRDWQDJQ-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.20
Rot. Bonds6

About N-ethyl-N-(furan-2-ylmethyl)-2-thiomorpholin-3-ylethanamine

N-ethyl-N-(furan-2-ylmethyl)-2-thiomorpholin-3-ylethanamine (PubChem CID 66422161) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-ethyl-N-(furan-2-ylmethyl)-2-thiomorpholin-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-N-(furan-2-ylmethyl)-2-thiomorpholin-3-ylethanamine
PubChem CID66422161
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-ethyl-N-(furan-2-ylmethyl)-2-thiomorpholin-3-ylethanamine
SMILESCCN(CCC1CSCCN1)Cc1ccco1
InChIInChI=1S/C13H22N2OS/c1-2-15(10-13-4-3-8-16-13)7-5-12-11-17-9-6-14-12/h3-4,8,12,14H,2,5-7,9-11H2,1H3
InChIKeyQBOOLTHRDWQDJQ-UHFFFAOYSA-N
XLogP2.20
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-thiomorpholin-3-ylethanamine
CID 66422921
N-(furan-2-ylmethyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 61421310
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62463343
N-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine
CID 62479770
N-(furan-2-ylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]ethanamine
CID 62462824
N-(furan-2-ylmethyl)-N-(2-pyrrolidin-2-ylethyl)cyclopropanamine
CID 55003918
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 61420775
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66421450
N-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62556677
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(furan-2-ylmethyl)ethanamine
CID 79315304
1-(furan-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586671

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(furan-2-ylmethyl)-2-thiomorpholin-3-ylethanamine?
The IUPAC name of N-ethyl-N-(furan-2-ylmethyl)-2-thiomorpholin-3-ylethanamine (CID 66422161) is N-ethyl-N-(furan-2-ylmethyl)-2-thiomorpholin-3-ylethanamine.
What is the SMILES notation for N-ethyl-N-(furan-2-ylmethyl)-2-thiomorpholin-3-ylethanamine?
The canonical SMILES for N-ethyl-N-(furan-2-ylmethyl)-2-thiomorpholin-3-ylethanamine is CCN(CCC1CSCCN1)Cc1ccco1.
What is the InChIKey of N-ethyl-N-(furan-2-ylmethyl)-2-thiomorpholin-3-ylethanamine?
The InChIKey is QBOOLTHRDWQDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-2-15(10-13-4-3-8-16-13)7-5-12-11-17-9-6-14-12/h3-4,8,12,14H,2,5-7,9-11H2,1H3.
What are the key properties of N-ethyl-N-(furan-2-ylmethyl)-2-thiomorpholin-3-ylethanamine?
N-ethyl-N-(furan-2-ylmethyl)-2-thiomorpholin-3-ylethanamine has a molecular weight of 254.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(furan-2-ylmethyl)-2-thiomorpholin-3-ylethanamine is sourced from PubChem (CID 66422161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).