N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine

C14H22N2OS — CID 79171394

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine
SMILESCN1CCOC(CNCc2cc3c(s2)CCC3)C1
InChIInChI=1S/C14H22N2OS/c1-16-5-6-17-12(10-16)8-15-9-13-7-11-3-2-4-14(11)18-13/h7,12,15H,2-6,8-10H2,1H3
InChIKeyJTKONHIILLGZFE-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.66
Rot. Bonds4

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine (PubChem CID 79171394) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine
PubChem CID79171394
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine
SMILESCN1CCOC(CNCc2cc3c(s2)CCC3)C1
InChIInChI=1S/C14H22N2OS/c1-16-5-6-17-12(10-16)8-15-9-13-7-11-3-2-4-14(11)18-13/h7,12,15H,2-6,8-10H2,1H3
InChIKeyJTKONHIILLGZFE-UHFFFAOYSA-N
XLogP1.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 82889883
1-(4-methylmorpholin-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 78945276
N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95598780
N-[(5-bromothiophen-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95159793
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124873009
N-[(4-methylmorpholin-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 79079935
N-[(4,5-dibromofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79083326
N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95334871
N-[(5-chlorofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943077
N-[(3-methylfuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 115653459
[5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 79032869
1-(4-methylmorpholin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 79032822

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine (CID 79171394) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine is CN1CCOC(CNCc2cc3c(s2)CCC3)C1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine?
The InChIKey is JTKONHIILLGZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-16-5-6-17-12(10-16)8-15-9-13-7-11-3-2-4-14(11)18-13/h7,12,15H,2-6,8-10H2,1H3.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine has a molecular weight of 266.41 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine is sourced from PubChem (CID 79171394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).