(5R)-7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one

C16H22N2OS — CID 97374149

IUPAC(5R)-7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccc(N2C[C@]3(CCN(CC4CC4)C3)CC2=O)s1
InChIInChI=1S/C16H22N2OS/c1-12-2-5-15(20-12)18-11-16(8-14(18)19)6-7-17(10-16)9-13-3-4-13/h2,5,13H,3-4,6-11H2,1H3/t16-/m1/s1
InChIKeyLQVHDNGBTBMCLE-MRXNPFEDSA-N
MW290.43 g/mol
LogP2.90
Rot. Bonds3

About (5R)-7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one

(5R)-7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 97374149) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (5R)-7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(5R)-7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID97374149
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(5R)-7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccc(N2C[C@]3(CCN(CC4CC4)C3)CC2=O)s1
InChIInChI=1S/C16H22N2OS/c1-12-2-5-15(20-12)18-11-16(8-14(18)19)6-7-17(10-16)9-13-3-4-13/h2,5,13H,3-4,6-11H2,1H3/t16-/m1/s1
InChIKeyLQVHDNGBTBMCLE-MRXNPFEDSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of (5R)-7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one (CID 97374149) is (5R)-7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for (5R)-7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for (5R)-7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one is Cc1ccc(N2C[C@]3(CCN(CC4CC4)C3)CC2=O)s1.
What is the InChIKey of (5R)-7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is LQVHDNGBTBMCLE-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12-2-5-15(20-12)18-11-16(8-14(18)19)6-7-17(10-16)9-13-3-4-13/h2,5,13H,3-4,6-11H2,1H3/t16-/m1/s1.
What are the key properties of (5R)-7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one?
(5R)-7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 290.43 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 97374149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).