11-pyridin-3-yl-2-thiophen-2-ylsulfonyl-8-oxa-2,11-diazaspiro[5.6]dodecane

C18H23N3O3S2 — CID 118744908

IUPAC11-pyridin-3-yl-2-thiophen-2-ylsulfonyl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESO=S(=O)(c1cccs1)N1CCCC2(COCCN(c3cccnc3)C2)C1
InChIInChI=1S/C18H23N3O3S2/c22-26(23,17-5-2-11-25-17)21-8-3-6-18(14-21)13-20(9-10-24-15-18)16-4-1-7-19-12-16/h1-2,4-5,7,11-12H,3,6,8-10,13-15H2
InChIKeyLKCMDTDXRXJSSG-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.45
Rot. Bonds3

About 11-pyridin-3-yl-2-thiophen-2-ylsulfonyl-8-oxa-2,11-diazaspiro[5.6]dodecane

11-pyridin-3-yl-2-thiophen-2-ylsulfonyl-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 118744908) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 11-pyridin-3-yl-2-thiophen-2-ylsulfonyl-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-pyridin-3-yl-2-thiophen-2-ylsulfonyl-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID118744908
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name11-pyridin-3-yl-2-thiophen-2-ylsulfonyl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESO=S(=O)(c1cccs1)N1CCCC2(COCCN(c3cccnc3)C2)C1
InChIInChI=1S/C18H23N3O3S2/c22-26(23,17-5-2-11-25-17)21-8-3-6-18(14-21)13-20(9-10-24-15-18)16-4-1-7-19-12-16/h1-2,4-5,7,11-12H,3,6,8-10,13-15H2
InChIKeyLKCMDTDXRXJSSG-UHFFFAOYSA-N
XLogP2.45
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-pyridin-3-yl-2-thiophen-2-ylsulfonyl-8-oxa-2,11-diazaspiro[5.6]dodecane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-pyridin-3-yl-2-thiophen-2-ylsulfonyl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-pyridin-3-yl-2-thiophen-2-ylsulfonyl-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 118744908) is 11-pyridin-3-yl-2-thiophen-2-ylsulfonyl-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-pyridin-3-yl-2-thiophen-2-ylsulfonyl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-pyridin-3-yl-2-thiophen-2-ylsulfonyl-8-oxa-2,11-diazaspiro[5.6]dodecane is O=S(=O)(c1cccs1)N1CCCC2(COCCN(c3cccnc3)C2)C1.
What is the InChIKey of 11-pyridin-3-yl-2-thiophen-2-ylsulfonyl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is LKCMDTDXRXJSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c22-26(23,17-5-2-11-25-17)21-8-3-6-18(14-21)13-20(9-10-24-15-18)16-4-1-7-19-12-16/h1-2,4-5,7,11-12H,3,6,8-10,13-15H2.
What are the key properties of 11-pyridin-3-yl-2-thiophen-2-ylsulfonyl-8-oxa-2,11-diazaspiro[5.6]dodecane?
11-pyridin-3-yl-2-thiophen-2-ylsulfonyl-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 393.53 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-pyridin-3-yl-2-thiophen-2-ylsulfonyl-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118744908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).