(5S,9S)-2-methyl-9-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

C19H22N2OS — CID 97471869

IUPAC(5S,9S)-2-methyl-9-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CC[C@]2(CN(Cc3cccs3)C[C@H]2c2ccccc2)C1=O
InChIInChI=1S/C19H22N2OS/c1-20-10-9-19(18(20)22)14-21(12-16-8-5-11-23-16)13-17(19)15-6-3-2-4-7-15/h2-8,11,17H,9-10,12-14H2,1H3/t17-,19+/m0/s1
InChIKeyCFTJMQJELNHXNW-PKOBYXMFSA-N
MW326.46 g/mol
LogP3.20
Rot. Bonds3

About (5S,9S)-2-methyl-9-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

(5S,9S)-2-methyl-9-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97471869) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is (5S,9S)-2-methyl-9-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-2-methyl-9-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97471869
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC Name(5S,9S)-2-methyl-9-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN1CC[C@]2(CN(Cc3cccs3)C[C@H]2c2ccccc2)C1=O
InChIInChI=1S/C19H22N2OS/c1-20-10-9-19(18(20)22)14-21(12-16-8-5-11-23-16)13-17(19)15-6-3-2-4-7-15/h2-8,11,17H,9-10,12-14H2,1H3/t17-,19+/m0/s1
InChIKeyCFTJMQJELNHXNW-PKOBYXMFSA-N
XLogP3.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,9S)-2-methyl-9-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-2-methyl-9-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 97471869) is (5S,9S)-2-methyl-9-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-2-methyl-9-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-2-methyl-9-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is CN1CC[C@]2(CN(Cc3cccs3)C[C@H]2c2ccccc2)C1=O.
What is the InChIKey of (5S,9S)-2-methyl-9-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is CFTJMQJELNHXNW-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-20-10-9-19(18(20)22)14-21(12-16-8-5-11-23-16)13-17(19)15-6-3-2-4-7-15/h2-8,11,17H,9-10,12-14H2,1H3/t17-,19+/m0/s1.
What are the key properties of (5S,9S)-2-methyl-9-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-2-methyl-9-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 326.46 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-2-methyl-9-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97471869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).