9-[1-(1-benzothiophen-3-ylsulfinyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one

C23H30N2O3S2 — CID 143399281

IUPAC9-[1-(1-benzothiophen-3-ylsulfinyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one
SMILESCC1(C)CC2(CCCN(C3CCN(S(=O)c4csc5ccccc45)CC3)C2)C(=O)O1
InChIInChI=1S/C23H30N2O3S2/c1-22(2)15-23(21(26)28-22)10-5-11-24(16-23)17-8-12-25(13-9-17)30(27)20-14-29-19-7-4-3-6-18(19)20/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3
InChIKeyHSUOLSYLAWYOPG-UHFFFAOYSA-N
MW446.64 g/mol
LogP4.20
Rot. Bonds3

About 9-[1-(1-benzothiophen-3-ylsulfinyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one

9-[1-(1-benzothiophen-3-ylsulfinyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one (PubChem CID 143399281) has the molecular formula C23H30N2O3S2 and a molecular weight of 446.64 g/mol. Its IUPAC name is 9-[1-(1-benzothiophen-3-ylsulfinyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[1-(1-benzothiophen-3-ylsulfinyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one
PubChem CID143399281
Molecular FormulaC23H30N2O3S2
Molecular Weight446.64 g/mol
Exact Mass446.17
IUPAC Name9-[1-(1-benzothiophen-3-ylsulfinyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one
SMILESCC1(C)CC2(CCCN(C3CCN(S(=O)c4csc5ccccc45)CC3)C2)C(=O)O1
InChIInChI=1S/C23H30N2O3S2/c1-22(2)15-23(21(26)28-22)10-5-11-24(16-23)17-8-12-25(13-9-17)30(27)20-14-29-19-7-4-3-6-18(19)20/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3
InChIKeyHSUOLSYLAWYOPG-UHFFFAOYSA-N
XLogP4.20
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.64
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[1-(1-benzothiophen-3-ylsulfinyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one 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

9-[1-(2-amino-1-benzothiophene-3-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one;ethane
CID 143399259
3,3-dimethyl-9-[1-[2-(methylamino)-1-benzothiophene-3-carbonyl]piperidin-4-yl]-2-oxa-9-azaspiro[4.5]decan-1-one;molecular hydrogen
CID 177055059
9-(1-anthracen-9-ylsulfonylpiperidin-4-yl)-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one;hydrochloride
CID 87535343
9-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one
CID 59373617
9-[1-(5-amino-2-chloropyridine-4-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one
CID 89278638
(2E)-2-[[4-[4-(3,3-dimethyl-1-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-5-(ethylcarbamoylamino)thiophen-2-yl]methylidene]butanoic acid
CID 68666606
1-[4-[4-(3,3-dimethyl-1-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-phenylpyrazol-3-yl]-3-ethylurea
CID 59373401
9-[1-(2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one
CID 91460373
1-[5-acetyl-3-[4-(3,3-dimethyl-1-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-ethylurea
CID 59373328
tert-butyl N-[3-[4-(3,3-dimethyl-1-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-5-(3-hydroxyphenyl)thiophen-2-yl]carbamate
CID 71103787
9-[1-(2-amino-1-benzothiophene-3-carbonyl)piperidin-4-yl]-3,3-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-1-one
CID 68665155
tert-butyl 2-amino-3-[4-(3,3-dimethyl-1-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 68666501

Frequently Asked Questions

What is the IUPAC name of 9-[1-(1-benzothiophen-3-ylsulfinyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one?
The IUPAC name of 9-[1-(1-benzothiophen-3-ylsulfinyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one (CID 143399281) is 9-[1-(1-benzothiophen-3-ylsulfinyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[1-(1-benzothiophen-3-ylsulfinyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[1-(1-benzothiophen-3-ylsulfinyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one is CC1(C)CC2(CCCN(C3CCN(S(=O)c4csc5ccccc45)CC3)C2)C(=O)O1.
What is the InChIKey of 9-[1-(1-benzothiophen-3-ylsulfinyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one?
The InChIKey is HSUOLSYLAWYOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S2/c1-22(2)15-23(21(26)28-22)10-5-11-24(16-23)17-8-12-25(13-9-17)30(27)20-14-29-19-7-4-3-6-18(19)20/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3.
What are the key properties of 9-[1-(1-benzothiophen-3-ylsulfinyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one?
9-[1-(1-benzothiophen-3-ylsulfinyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one has a molecular weight of 446.64 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(1-benzothiophen-3-ylsulfinyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 143399281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).