2-cyclopropyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidine

C16H27NOS — CID 79911011

IUPAC2-cyclopropyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidine
SMILESC1CNC(C2CC2)(C2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C16H27NOS/c1-5-16(17-8-1,13-2-3-13)14-4-9-18-15(12-14)6-10-19-11-7-15/h13-14,17H,1-12H2
InChIKeyMWVIBYJAXUIKMU-UHFFFAOYSA-N
MW281.46 g/mol
LogP3.21
Rot. Bonds2

About 2-cyclopropyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidine

2-cyclopropyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidine (PubChem CID 79911011) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 2-cyclopropyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidine.

Molecular Properties

Compound Name2-cyclopropyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidine
PubChem CID79911011
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name2-cyclopropyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidine
SMILESC1CNC(C2CC2)(C2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C16H27NOS/c1-5-16(17-8-1,13-2-3-13)14-4-9-18-15(12-14)6-10-19-11-7-15/h13-14,17H,1-12H2
InChIKeyMWVIBYJAXUIKMU-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)azepan-4-ol
CID 103982929
2,2-dicyclopropylpyrrolidine
CID 66466042
2-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane
CID 79912308
4,4-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79912723
2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79913520
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol
CID 103983033
(2-methylpiperidin-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 116614150
3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 80692366
3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1-carboxylic acid
CID 79907917
cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 80609661
cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79913237
3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine
CID 79894474

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidine?
The IUPAC name of 2-cyclopropyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidine (CID 79911011) is 2-cyclopropyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidine.
What is the SMILES notation for 2-cyclopropyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidine?
The canonical SMILES for 2-cyclopropyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidine is C1CNC(C2CC2)(C2CCOC3(CCSCC3)C2)C1.
What is the InChIKey of 2-cyclopropyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidine?
The InChIKey is MWVIBYJAXUIKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-5-16(17-8-1,13-2-3-13)14-4-9-18-15(12-14)6-10-19-11-7-15/h13-14,17H,1-12H2.
What are the key properties of 2-cyclopropyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidine?
2-cyclopropyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidine has a molecular weight of 281.46 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidine is sourced from PubChem (CID 79911011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).