(1R,5S)-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane

C15H23N3S — CID 77084994

IUPAC(1R,5S)-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane
SMILESc1csc(CN2CCN(CC3[C@H]4CNC[C@@H]34)CC2)c1
InChIInChI=1S/C15H23N3S/c1-2-12(19-7-1)10-17-3-5-18(6-4-17)11-15-13-8-16-9-14(13)15/h1-2,7,13-16H,3-6,8-11H2/t13-,14+,15?
InChIKeyBTSCNPLILYNLCJ-YIONKMFJSA-N
MW277.44 g/mol
LogP1.33
Rot. Bonds4

About (1R,5S)-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane

(1R,5S)-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 77084994) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is (1R,5S)-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S)-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane
PubChem CID77084994
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name(1R,5S)-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane
SMILESc1csc(CN2CCN(CC3[C@H]4CNC[C@@H]34)CC2)c1
InChIInChI=1S/C15H23N3S/c1-2-12(19-7-1)10-17-3-5-18(6-4-17)11-15-13-8-16-9-14(13)15/h1-2,7,13-16H,3-6,8-11H2/t13-,14+,15?
InChIKeyBTSCNPLILYNLCJ-YIONKMFJSA-N
XLogP1.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,5S)-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

1-(thiophen-2-ylmethyl)piperazine
CID 566208
5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60972638
4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde
CID 60679812
1-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 22748866
3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 43397030
1-(bromomethylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
CID 83084047
1-(thiophen-2-ylmethyl)piperidin-4-one
CID 18001837
propane;4-(thiophen-2-ylmethyl)morpholine
CID 142296614
1-(thiophen-2-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-ylidene]amino]piperidin-4-imine
CID 139216002
(2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78801873

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane (CID 77084994) is (1R,5S)-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane is c1csc(CN2CCN(CC3[C@H]4CNC[C@@H]34)CC2)c1.
What is the InChIKey of (1R,5S)-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is BTSCNPLILYNLCJ-YIONKMFJSA-N. The full InChI is InChI=1S/C15H23N3S/c1-2-12(19-7-1)10-17-3-5-18(6-4-17)11-15-13-8-16-9-14(13)15/h1-2,7,13-16H,3-6,8-11H2/t13-,14+,15?.
What are the key properties of (1R,5S)-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane?
(1R,5S)-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 277.44 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 77084994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).