(3-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine

C17H25NO2S — CID 79906907

IUPAC(3-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
SMILESCCOc1cccc(C(N)C2CCOC3(CCSC3)C2)c1
InChIInChI=1S/C17H25NO2S/c1-2-19-15-5-3-4-13(10-15)16(18)14-6-8-20-17(11-14)7-9-21-12-17/h3-5,10,14,16H,2,6-9,11-12,18H2,1H3
InChIKeyHPLJFYOJHSKKTI-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.39
Rot. Bonds4

About (3-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine

(3-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine (PubChem CID 79906907) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
PubChem CID79906907
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name(3-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
SMILESCCOc1cccc(C(N)C2CCOC3(CCSC3)C2)c1
InChIInChI=1S/C17H25NO2S/c1-2-19-15-5-3-4-13(10-15)16(18)14-6-8-20-17(11-14)7-9-21-12-17/h3-5,10,14,16H,2,6-9,11-12,18H2,1H3
InChIKeyHPLJFYOJHSKKTI-UHFFFAOYSA-N
XLogP3.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017824
(3-methylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79914241
5-oxaspiro[3.5]nonan-8-yl-(3-propoxyphenyl)methanamine
CID 105010167
(3-ethoxyphenyl)-(thiolan-3-yl)methanamine
CID 105173284
(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171205660
(2-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79900352
(2-methyl-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 106755669
(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171225239
(3-bromo-5-methylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017770
(5-fluoro-2-methylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79913997
2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 116726119
(3-bromo-5-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79912132

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of (3-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine (CID 79906907) is (3-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for (3-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for (3-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine is CCOc1cccc(C(N)C2CCOC3(CCSC3)C2)c1.
What is the InChIKey of (3-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is HPLJFYOJHSKKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-2-19-15-5-3-4-13(10-15)16(18)14-6-8-20-17(11-14)7-9-21-12-17/h3-5,10,14,16H,2,6-9,11-12,18H2,1H3.
What are the key properties of (3-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
(3-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 307.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 79906907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).