6-oxa-2-thiaspiro[4.5]decan-9-yl-[4-(propylamino)oxolan-3-yl]methanone

C16H27NO3S — CID 116587891

IUPAC6-oxa-2-thiaspiro[4.5]decan-9-yl-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H27NO3S/c1-2-5-17-14-10-19-9-13(14)15(18)12-3-6-20-16(8-12)4-7-21-11-16/h12-14,17H,2-11H2,1H3
InChIKeySZBLUODYGUIHLT-UHFFFAOYSA-N
MW313.46 g/mol
LogP1.87
Rot. Bonds5

About 6-oxa-2-thiaspiro[4.5]decan-9-yl-[4-(propylamino)oxolan-3-yl]methanone

6-oxa-2-thiaspiro[4.5]decan-9-yl-[4-(propylamino)oxolan-3-yl]methanone (PubChem CID 116587891) has the molecular formula C16H27NO3S and a molecular weight of 313.46 g/mol. Its IUPAC name is 6-oxa-2-thiaspiro[4.5]decan-9-yl-[4-(propylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name6-oxa-2-thiaspiro[4.5]decan-9-yl-[4-(propylamino)oxolan-3-yl]methanone
PubChem CID116587891
Molecular FormulaC16H27NO3S
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC Name6-oxa-2-thiaspiro[4.5]decan-9-yl-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H27NO3S/c1-2-5-17-14-10-19-9-13(14)15(18)12-3-6-20-16(8-12)4-7-21-11-16/h12-14,17H,2-11H2,1H3
InChIKeySZBLUODYGUIHLT-UHFFFAOYSA-N
XLogP1.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-oxa-2-thiaspiro[4.5]decan-9-yl-[4-(propylamino)oxolan-3-yl]methanone with MolForge

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Related Compounds

cyclopropyl-[4-(propylamino)oxolan-3-yl]methanone
CID 116587886
(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921070
(2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 107003974
(3-methylcyclohexyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116587762
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-one
CID 115788152
methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate
CID 106942420
(3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79920973
3-(tert-butylamino)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 116558037
3-amino-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 116564639
2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-1-one
CID 114247062
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine
CID 79922469
1,4-dithian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79971334

Frequently Asked Questions

What is the IUPAC name of 6-oxa-2-thiaspiro[4.5]decan-9-yl-[4-(propylamino)oxolan-3-yl]methanone?
The IUPAC name of 6-oxa-2-thiaspiro[4.5]decan-9-yl-[4-(propylamino)oxolan-3-yl]methanone (CID 116587891) is 6-oxa-2-thiaspiro[4.5]decan-9-yl-[4-(propylamino)oxolan-3-yl]methanone.
What is the SMILES notation for 6-oxa-2-thiaspiro[4.5]decan-9-yl-[4-(propylamino)oxolan-3-yl]methanone?
The canonical SMILES for 6-oxa-2-thiaspiro[4.5]decan-9-yl-[4-(propylamino)oxolan-3-yl]methanone is CCCNC1COCC1C(=O)C1CCOC2(CCSC2)C1.
What is the InChIKey of 6-oxa-2-thiaspiro[4.5]decan-9-yl-[4-(propylamino)oxolan-3-yl]methanone?
The InChIKey is SZBLUODYGUIHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3S/c1-2-5-17-14-10-19-9-13(14)15(18)12-3-6-20-16(8-12)4-7-21-11-16/h12-14,17H,2-11H2,1H3.
What are the key properties of 6-oxa-2-thiaspiro[4.5]decan-9-yl-[4-(propylamino)oxolan-3-yl]methanone?
6-oxa-2-thiaspiro[4.5]decan-9-yl-[4-(propylamino)oxolan-3-yl]methanone has a molecular weight of 313.46 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-2-thiaspiro[4.5]decan-9-yl-[4-(propylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 116587891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).