3-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol

C17H23NO2S — CID 107089693

IUPAC3-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(C2CCOC3(CCSC3)C2)c2ccccc21
InChIInChI=1S/C17H23NO2S/c18-15-10-17(19,14-4-2-1-3-13(14)15)12-5-7-20-16(9-12)6-8-21-11-16/h1-4,12,15,19H,5-11,18H2
InChIKeyRUGPHQMMTQKQRL-UHFFFAOYSA-N
MW305.44 g/mol
LogP2.58
Rot. Bonds1

About 3-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol

3-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol (PubChem CID 107089693) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 3-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol
PubChem CID107089693
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name3-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(C2CCOC3(CCSC3)C2)c2ccccc21
InChIInChI=1S/C17H23NO2S/c18-15-10-17(19,14-4-2-1-3-13(14)15)12-5-7-20-16(9-12)6-8-21-11-16/h1-4,12,15,19H,5-11,18H2
InChIKeyRUGPHQMMTQKQRL-UHFFFAOYSA-N
XLogP2.58
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol with MolForge

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Related Compounds

2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 79907813
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79900652
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 79906886
4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol
CID 79913693
(2-cyclopropylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79971399
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol
CID 79913501
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol
CID 103983033
3-amino-2,3-dihydroindene-1,1-diol
CID 70048051
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
2-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one
CID 116564038
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 3-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol (CID 107089693) is 3-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol is NC1CC(O)(C2CCOC3(CCSC3)C2)c2ccccc21.
What is the InChIKey of 3-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol?
The InChIKey is RUGPHQMMTQKQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c18-15-10-17(19,14-4-2-1-3-13(14)15)12-5-7-20-16(9-12)6-8-21-11-16/h1-4,12,15,19H,5-11,18H2.
What are the key properties of 3-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol?
3-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol has a molecular weight of 305.44 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).