[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-thiophen-3-ylmethanone

C16H22N2OS — CID 133134617

IUPAC[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2
InChIInChI=1S/C16H22N2OS/c19-16(14-5-6-20-11-14)18-9-13-3-4-15(10-18)17(8-13)7-12-1-2-12/h5-6,11-13,15H,1-4,7-10H2/t13-,15-/m0/s1
InChIKeySYBALMUYSVXRGT-ZFWWWQNUSA-N
MW290.43 g/mol
LogP2.69
Rot. Bonds3

About [(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-thiophen-3-ylmethanone

[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-thiophen-3-ylmethanone (PubChem CID 133134617) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is [(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-thiophen-3-ylmethanone
PubChem CID133134617
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2
InChIInChI=1S/C16H22N2OS/c19-16(14-5-6-20-11-14)18-9-13-3-4-15(10-18)17(8-13)7-12-1-2-12/h5-6,11-13,15H,1-4,7-10H2/t13-,15-/m0/s1
InChIKeySYBALMUYSVXRGT-ZFWWWQNUSA-N
XLogP2.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-thiophen-3-ylmethanone with MolForge

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Related Compounds

5-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1-methylpyridin-2-one
CID 133131912
[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(4-morpholin-4-ylphenyl)methanone
CID 70723868
(2-chlorophenyl)-[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 133114270
[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(3,4-difluorophenyl)methanone
CID 72898811
[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(3,5-dimethylphenyl)methanone
CID 70758888
4-[(1S,5S)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]benzonitrile
CID 133136064
[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-naphthalen-1-ylmethanone
CID 133109725
[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(4-methylsulfonylphenyl)methanone
CID 72879576
1-[6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-thiophen-2-ylethanone
CID 156604231
[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 72915231
[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 70709635
[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 70782281

Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-thiophen-3-ylmethanone (CID 133134617) is [(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2.
What is the InChIKey of [(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-thiophen-3-ylmethanone?
The InChIKey is SYBALMUYSVXRGT-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H22N2OS/c19-16(14-5-6-20-11-14)18-9-13-3-4-15(10-18)17(8-13)7-12-1-2-12/h5-6,11-13,15H,1-4,7-10H2/t13-,15-/m0/s1.
What are the key properties of [(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-thiophen-3-ylmethanone?
[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-thiophen-3-ylmethanone has a molecular weight of 290.43 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 133134617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).