4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one

C14H25NO2S — CID 116571732

IUPAC4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one
SMILESCC(N)CCC(=O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H25NO2S/c1-11(15)2-3-13(16)12-4-7-17-14(10-12)5-8-18-9-6-14/h11-12H,2-10,15H2,1H3
InChIKeyGOIDLXAGQQNUOG-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.38
Rot. Bonds4

About 4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one

4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one (PubChem CID 116571732) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one
PubChem CID116571732
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one
SMILESCC(N)CCC(=O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H25NO2S/c1-11(15)2-3-13(16)12-4-7-17-14(10-12)5-8-18-9-6-14/h11-12H,2-10,15H2,1H3
InChIKeyGOIDLXAGQQNUOG-UHFFFAOYSA-N
XLogP2.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one
CID 79913472
3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116555810
3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
CID 115788253
2-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-one
CID 116584069
4-amino-4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-one
CID 116571485
2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-1-one
CID 114247062
2-hydroxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-one
CID 103455117
2-amino-3-methoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
CID 116594117
2-cyclopentyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanone
CID 115788317
2-(tert-butylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanone
CID 116588928
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one
CID 79913667
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-propoxyethanone
CID 79922148

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one?
The IUPAC name of 4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one (CID 116571732) is 4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one?
The canonical SMILES for 4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one is CC(N)CCC(=O)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one?
The InChIKey is GOIDLXAGQQNUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-11(15)2-3-13(16)12-4-7-17-14(10-12)5-8-18-9-6-14/h11-12H,2-10,15H2,1H3.
What are the key properties of 4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one?
4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one has a molecular weight of 271.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one is sourced from PubChem (CID 116571732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).