1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]

C17H24N2O2S — CID 118740549

IUPAC1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]
SMILESCS(=O)(=O)N1CC2(CCN(CC3CC3)C2)Cc2ccccc21
InChIInChI=1S/C17H24N2O2S/c1-22(20,21)19-13-17(10-15-4-2-3-5-16(15)19)8-9-18(12-17)11-14-6-7-14/h2-5,14H,6-13H2,1H3
InChIKeyZYZACVCUCPZDSD-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.11
Rot. Bonds3

About 1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]

1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine] (PubChem CID 118740549) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine].

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]
PubChem CID118740549
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]
SMILESCS(=O)(=O)N1CC2(CCN(CC3CC3)C2)Cc2ccccc21
InChIInChI=1S/C17H24N2O2S/c1-22(20,21)19-13-17(10-15-4-2-3-5-16(15)19)8-9-18(12-17)11-14-6-7-14/h2-5,14H,6-13H2,1H3
InChIKeyZYZACVCUCPZDSD-UHFFFAOYSA-N
XLogP2.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]?
The IUPAC name of 1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine] (CID 118740549) is 1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine].
What is the SMILES notation for 1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]?
The canonical SMILES for 1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine] is CS(=O)(=O)N1CC2(CCN(CC3CC3)C2)Cc2ccccc21.
What is the InChIKey of 1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]?
The InChIKey is ZYZACVCUCPZDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-22(20,21)19-13-17(10-15-4-2-3-5-16(15)19)8-9-18(12-17)11-14-6-7-14/h2-5,14H,6-13H2,1H3.
What are the key properties of 1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]?
1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine] has a molecular weight of 320.46 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-1-methylsulfonylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine] is sourced from PubChem (CID 118740549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).