N-[(1R,5R,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]-1-thiophen-2-ylpiperidin-4-amine

C19H28N2OS — CID 124626947

IUPACN-[(1R,5R,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]-1-thiophen-2-ylpiperidin-4-amine
SMILESc1csc(N2CCC(N[C@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)c1
InChIInChI=1S/C19H28N2OS/c1-2-9-19(8-1)17(15-7-12-22-18(15)19)20-14-5-10-21(11-6-14)16-4-3-13-23-16/h3-4,13-15,17-18,20H,1-2,5-12H2/t15-,17+,18-/m1/s1
InChIKeyZNSNUBBONITUCJ-BPQIPLTHSA-N
MW332.51 g/mol
LogP3.65
Rot. Bonds3

About N-[(1R,5R,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]-1-thiophen-2-ylpiperidin-4-amine

N-[(1R,5R,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]-1-thiophen-2-ylpiperidin-4-amine (PubChem CID 124626947) has the molecular formula C19H28N2OS and a molecular weight of 332.51 g/mol. Its IUPAC name is N-[(1R,5R,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]-1-thiophen-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1R,5R,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]-1-thiophen-2-ylpiperidin-4-amine
PubChem CID124626947
Molecular FormulaC19H28N2OS
Molecular Weight332.51 g/mol
Exact Mass332.19
IUPAC NameN-[(1R,5R,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]-1-thiophen-2-ylpiperidin-4-amine
SMILESc1csc(N2CCC(N[C@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)c1
InChIInChI=1S/C19H28N2OS/c1-2-9-19(8-1)17(15-7-12-22-18(15)19)20-14-5-10-21(11-6-14)16-4-3-13-23-16/h3-4,13-15,17-18,20H,1-2,5-12H2/t15-,17+,18-/m1/s1
InChIKeyZNSNUBBONITUCJ-BPQIPLTHSA-N
XLogP3.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,5R,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]-1-thiophen-2-ylpiperidin-4-amine with MolForge

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Related Compounds

1-[(3-fluorophenyl)methyl]-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]piperidin-4-amine
CID 124742328
(1S,5S,6R)-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 97328250
N-(3-methylcyclobutyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 115906391
2-methyl-1-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine;hydroiodide
CID 109401040
(1R,5S,6R)-N-[(2-morpholin-4-ylphenyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 124775706
2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate
CID 99851637
2-methylpropyl 4-[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate
CID 129446196
2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine
CID 109404339
2-ethyl-1-[1-(3-fluorophenyl)piperidin-4-yl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine
CID 109405425
N-(2-methylpropyl)-1-thiophen-2-ylpiperidin-4-amine
CID 115876746
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]ethanone
CID 124856927
2-N,2-N-dimethyl-1-N-[(1S,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]benzene-1,2-diamine
CID 99777632

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]-1-thiophen-2-ylpiperidin-4-amine?
The IUPAC name of N-[(1R,5R,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]-1-thiophen-2-ylpiperidin-4-amine (CID 124626947) is N-[(1R,5R,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]-1-thiophen-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(1R,5R,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]-1-thiophen-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(1R,5R,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]-1-thiophen-2-ylpiperidin-4-amine is c1csc(N2CCC(N[C@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)c1.
What is the InChIKey of N-[(1R,5R,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]-1-thiophen-2-ylpiperidin-4-amine?
The InChIKey is ZNSNUBBONITUCJ-BPQIPLTHSA-N. The full InChI is InChI=1S/C19H28N2OS/c1-2-9-19(8-1)17(15-7-12-22-18(15)19)20-14-5-10-21(11-6-14)16-4-3-13-23-16/h3-4,13-15,17-18,20H,1-2,5-12H2/t15-,17+,18-/m1/s1.
What are the key properties of N-[(1R,5R,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]-1-thiophen-2-ylpiperidin-4-amine?
N-[(1R,5R,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]-1-thiophen-2-ylpiperidin-4-amine has a molecular weight of 332.51 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]-1-thiophen-2-ylpiperidin-4-amine is sourced from PubChem (CID 124626947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).