N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-thiomorpholin-3-ylethanamine

C13H22N2OS — CID 66422921

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-thiomorpholin-3-ylethanamine
SMILESCc1ccc(CN(C)CCC2CSCCN2)o1
InChIInChI=1S/C13H22N2OS/c1-11-3-4-13(16-11)9-15(2)7-5-12-10-17-8-6-14-12/h3-4,12,14H,5-10H2,1-2H3
InChIKeyRUSYGKGZWDCLOC-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.11
Rot. Bonds5

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-thiomorpholin-3-ylethanamine

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-thiomorpholin-3-ylethanamine (PubChem CID 66422921) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-thiomorpholin-3-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-thiomorpholin-3-ylethanamine
PubChem CID66422921
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-thiomorpholin-3-ylethanamine
SMILESCc1ccc(CN(C)CCC2CSCCN2)o1
InChIInChI=1S/C13H22N2OS/c1-11-3-4-13(16-11)9-15(2)7-5-12-10-17-8-6-14-12/h3-4,12,14H,5-10H2,1-2H3
InChIKeyRUSYGKGZWDCLOC-UHFFFAOYSA-N
XLogP2.11
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
CID 115239457
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiomorpholin-3-ylethanamine
CID 66422771
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-morpholin-2-ylethanamine
CID 66429621
N-ethyl-N-(furan-2-ylmethyl)-2-thiomorpholin-3-ylethanamine
CID 66422161
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
4-methoxy-N-methyl-N-(2-thiomorpholin-3-ylethyl)aniline
CID 66419959
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 16768485
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421619
N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119956917
1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65458193
N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 55085461
N-methyl-1-[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolan-2-yl]methanamine
CID 62422461

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-thiomorpholin-3-ylethanamine?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-thiomorpholin-3-ylethanamine (CID 66422921) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-thiomorpholin-3-ylethanamine.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-thiomorpholin-3-ylethanamine?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-thiomorpholin-3-ylethanamine is Cc1ccc(CN(C)CCC2CSCCN2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-thiomorpholin-3-ylethanamine?
The InChIKey is RUSYGKGZWDCLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-11-3-4-13(16-11)9-15(2)7-5-12-10-17-8-6-14-12/h3-4,12,14H,5-10H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-thiomorpholin-3-ylethanamine?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-thiomorpholin-3-ylethanamine has a molecular weight of 254.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-thiomorpholin-3-ylethanamine is sourced from PubChem (CID 66422921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).