(6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane

C20H25FN2OS — CID 97372362

IUPAC(6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1ccc(CN2CCO[C@@]3(CCCN(c4cccc(F)c4)C3)C2)s1
InChIInChI=1S/C20H25FN2OS/c1-16-6-7-19(25-16)13-22-10-11-24-20(14-22)8-3-9-23(15-20)18-5-2-4-17(21)12-18/h2,4-7,12H,3,8-11,13-15H2,1H3/t20-/m0/s1
InChIKeyPSHPBRNVAHWAKD-FQEVSTJZSA-N
MW360.50 g/mol
LogP4.07
Rot. Bonds3

About (6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane

(6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 97372362) has the molecular formula C20H25FN2OS and a molecular weight of 360.50 g/mol. Its IUPAC name is (6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID97372362
Molecular FormulaC20H25FN2OS
Molecular Weight360.50 g/mol
Exact Mass360.17
IUPAC Name(6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1ccc(CN2CCO[C@@]3(CCCN(c4cccc(F)c4)C3)C2)s1
InChIInChI=1S/C20H25FN2OS/c1-16-6-7-19(25-16)13-22-10-11-24-20(14-22)8-3-9-23(15-20)18-5-2-4-17(21)12-18/h2,4-7,12H,3,8-11,13-15H2,1H3/t20-/m0/s1
InChIKeyPSHPBRNVAHWAKD-FQEVSTJZSA-N
XLogP4.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane 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

8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118746429
8-(6-methylpyridazin-3-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131660482
(6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492189
1-[(6R)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 97372389
8-(3-fluorophenyl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 118747256
4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 171672882
(6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97491976
(6S)-4-[(5-methylthiophen-2-yl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97495057
(6S)-4-[(4-fluorophenyl)methyl]-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396493
[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone
CID 134074046
8-pyridin-3-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131640266
[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone
CID 134077803

Frequently Asked Questions

What is the IUPAC name of (6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of (6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane (CID 97372362) is (6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for (6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for (6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane is Cc1ccc(CN2CCO[C@@]3(CCCN(c4cccc(F)c4)C3)C2)s1.
What is the InChIKey of (6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is PSHPBRNVAHWAKD-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25FN2OS/c1-16-6-7-19(25-16)13-22-10-11-24-20(14-22)8-3-9-23(15-20)18-5-2-4-17(21)12-18/h2,4-7,12H,3,8-11,13-15H2,1H3/t20-/m0/s1.
What are the key properties of (6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
(6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 360.50 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 97372362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).