N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dithiophen-2-ylmethanamine

C16H22N2OS2 — CID 114399605

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-1,1-dithiophen-2-ylmethanamine
SMILESCCN1CCOC(CNC(c2cccs2)c2cccs2)C1
InChIInChI=1S/C16H22N2OS2/c1-2-18-7-8-19-13(12-18)11-17-16(14-5-3-9-20-14)15-6-4-10-21-15/h3-6,9-10,13,16-17H,2,7-8,11-12H2,1H3
InChIKeyKJHBKEYLNMFPCA-UHFFFAOYSA-N
MW322.50 g/mol
LogP3.21
Rot. Bonds6

About N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dithiophen-2-ylmethanamine

N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dithiophen-2-ylmethanamine (PubChem CID 114399605) has the molecular formula C16H22N2OS2 and a molecular weight of 322.50 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dithiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-1,1-dithiophen-2-ylmethanamine
PubChem CID114399605
Molecular FormulaC16H22N2OS2
Molecular Weight322.50 g/mol
Exact Mass322.12
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-1,1-dithiophen-2-ylmethanamine
SMILESCCN1CCOC(CNC(c2cccs2)c2cccs2)C1
InChIInChI=1S/C16H22N2OS2/c1-2-18-7-8-19-13(12-18)11-17-16(14-5-3-9-20-14)15-6-4-10-21-15/h3-6,9-10,13,16-17H,2,7-8,11-12H2,1H3
InChIKeyKJHBKEYLNMFPCA-UHFFFAOYSA-N
XLogP3.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-phenylethanamine
CID 79165339
N-[(4-ethylmorpholin-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 79164854
N-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526746
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347515
4-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]phenol
CID 114399621
N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 113353970
N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 78946838
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxy-1-phenylethanamine
CID 103913578
1-(4-ethoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 115900054
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol
CID 104583926
N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 113353975

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dithiophen-2-ylmethanamine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dithiophen-2-ylmethanamine (CID 114399605) is N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dithiophen-2-ylmethanamine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dithiophen-2-ylmethanamine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dithiophen-2-ylmethanamine is CCN1CCOC(CNC(c2cccs2)c2cccs2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dithiophen-2-ylmethanamine?
The InChIKey is KJHBKEYLNMFPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS2/c1-2-18-7-8-19-13(12-18)11-17-16(14-5-3-9-20-14)15-6-4-10-21-15/h3-6,9-10,13,16-17H,2,7-8,11-12H2,1H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dithiophen-2-ylmethanamine?
N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dithiophen-2-ylmethanamine has a molecular weight of 322.50 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dithiophen-2-ylmethanamine is sourced from PubChem (CID 114399605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).