2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one

C17H23NO2S — CID 116564038

IUPAC2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one
SMILESCC(N)(C(=O)C1CCOC2(CCSC2)C1)c1ccccc1
InChIInChI=1S/C17H23NO2S/c1-16(18,14-5-3-2-4-6-14)15(19)13-7-9-20-17(11-13)8-10-21-12-17/h2-6,13H,7-12,18H2,1H3
InChIKeyFUEFGOFGNMWBEU-UHFFFAOYSA-N
MW305.44 g/mol
LogP2.73
Rot. Bonds3

About 2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one

2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one (PubChem CID 116564038) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one
PubChem CID116564038
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one
SMILESCC(N)(C(=O)C1CCOC2(CCSC2)C1)c1ccccc1
InChIInChI=1S/C17H23NO2S/c1-16(18,14-5-3-2-4-6-14)15(19)13-7-9-20-17(11-13)8-10-21-12-17/h2-6,13H,7-12,18H2,1H3
InChIKeyFUEFGOFGNMWBEU-UHFFFAOYSA-N
XLogP2.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol
CID 79899148
6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone
CID 79908896
4-amino-4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-one
CID 116571485
2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
CID 79913238
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylbutan-1-one
CID 115788081
2-amino-1-(oxolan-3-yl)-2-phenylpropan-1-one
CID 116563869
2-amino-2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one
CID 116557096
1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79901777
2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 114032513
(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116576726
2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanamine
CID 115918129
2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol
CID 79900359

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one (CID 116564038) is 2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one is CC(N)(C(=O)C1CCOC2(CCSC2)C1)c1ccccc1.
What is the InChIKey of 2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one?
The InChIKey is FUEFGOFGNMWBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-16(18,14-5-3-2-4-6-14)15(19)13-7-9-20-17(11-13)8-10-21-12-17/h2-6,13H,7-12,18H2,1H3.
What are the key properties of 2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one?
2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one has a molecular weight of 305.44 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 116564038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).