2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C15H23ClN2OS — CID 81252774

IUPAC2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCC(C)(CNC1CCc2sc(Cl)cc21)N1CCOCC1
InChIInChI=1S/C15H23ClN2OS/c1-15(2,18-5-7-19-8-6-18)10-17-12-3-4-13-11(12)9-14(16)20-13/h9,12,17H,3-8,10H2,1-2H3
InChIKeyXKDJDDNWNOCOAZ-UHFFFAOYSA-N
MW314.88 g/mol
LogP3.09
Rot. Bonds4

About 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81252774) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81252774
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC Name2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCC(C)(CNC1CCc2sc(Cl)cc21)N1CCOCC1
InChIInChI=1S/C15H23ClN2OS/c1-15(2,18-5-7-19-8-6-18)10-17-12-3-4-13-11(12)9-14(16)20-13/h9,12,17H,3-8,10H2,1-2H3
InChIKeyXKDJDDNWNOCOAZ-UHFFFAOYSA-N
XLogP3.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine with MolForge

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Related Compounds

3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115359159
3-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-2-methylpropane-1,2-diol
CID 81252412
1-N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 82687038
2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 82706025
2-chloro-N-[(5-methylthiophen-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252189
2-chloro-N-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252699
N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 82686636
3-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2,2-dimethylpropanamide
CID 114167065
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643425
2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252766
N-(2-methyl-2-morpholin-4-ylpropyl)spiro[4.5]decan-8-amine
CID 114817133
2-chloro-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82689885

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81252774) is 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is CC(C)(CNC1CCc2sc(Cl)cc21)N1CCOCC1.
What is the InChIKey of 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is XKDJDDNWNOCOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2OS/c1-15(2,18-5-7-19-8-6-18)10-17-12-3-4-13-11(12)9-14(16)20-13/h9,12,17H,3-8,10H2,1-2H3.
What are the key properties of 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 314.88 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81252774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).