S-tert-butylthiohydroxylamine;8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-2-oxa-8-azaspiro[4.5]decane

C24H31Cl2N5OS — CID 142403927

IUPACS-tert-butylthiohydroxylamine;8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-2-oxa-8-azaspiro[4.5]decane
SMILESCC(C)(C)SN.Clc1cccc(-c2cnc(N3CCC4(CCOC4)CC3)c3[nH]cnc23)c1Cl
InChIInChI=1S/C20H20Cl2N4O.C4H11NS/c21-15-3-1-2-13(16(15)22)14-10-23-19(18-17(14)24-12-25-18)26-7-4-20(5-8-26)6-9-27-11-20;1-4(2,3)6-5/h1-3,10,12H,4-9,11H2,(H,24,25);5H2,1-3H3
InChIKeyWXFAHUUAERNIRZ-UHFFFAOYSA-N
MW508.52 g/mol
LogP6.33
Rot. Bonds2

About S-tert-butylthiohydroxylamine;8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-2-oxa-8-azaspiro[4.5]decane

S-tert-butylthiohydroxylamine;8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-2-oxa-8-azaspiro[4.5]decane (PubChem CID 142403927) has the molecular formula C24H31Cl2N5OS and a molecular weight of 508.52 g/mol. Its IUPAC name is S-tert-butylthiohydroxylamine;8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound NameS-tert-butylthiohydroxylamine;8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-2-oxa-8-azaspiro[4.5]decane
PubChem CID142403927
Molecular FormulaC24H31Cl2N5OS
Molecular Weight508.52 g/mol
Exact Mass507.16
IUPAC NameS-tert-butylthiohydroxylamine;8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-2-oxa-8-azaspiro[4.5]decane
SMILESCC(C)(C)SN.Clc1cccc(-c2cnc(N3CCC4(CCOC4)CC3)c3[nH]cnc23)c1Cl
InChIInChI=1S/C20H20Cl2N4O.C4H11NS/c21-15-3-1-2-13(16(15)22)14-10-23-19(18-17(14)24-12-25-18)26-7-4-20(5-8-26)6-9-27-11-20;1-4(2,3)6-5/h1-3,10,12H,4-9,11H2,(H,24,25);5H2,1-3H3
InChIKeyWXFAHUUAERNIRZ-UHFFFAOYSA-N
XLogP6.33
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.52
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze S-tert-butylthiohydroxylamine;8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-2-oxa-8-azaspiro[4.5]decane 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-(2,3-dichlorophenyl)-3-(difluoromethyl)pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decane
CID 138553209
5-(8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)pyrido[4,3-d]pyrimidine
CID 170128235
5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 155690377
6-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 155690425
8-[3-(2-chloro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decane
CID 166992568
tert-butyl N-[1-[7-(2,3-dichlorophenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]-4-methylpiperidin-4-yl]carbamate
CID 135257079
ethane;6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one
CID 156711718
8-[7-(2-chloro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-8-azaspiro[4.5]decane;ethane;methanethiol
CID 142403897
5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyridin-2-amine
CID 122520394
3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one
CID 145210194
7-pyridin-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 71921202
tert-butyl carbamate;methyl 5-chloro-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate
CID 153359755

Frequently Asked Questions

What is the IUPAC name of S-tert-butylthiohydroxylamine;8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of S-tert-butylthiohydroxylamine;8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-2-oxa-8-azaspiro[4.5]decane (CID 142403927) is S-tert-butylthiohydroxylamine;8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for S-tert-butylthiohydroxylamine;8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for S-tert-butylthiohydroxylamine;8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-2-oxa-8-azaspiro[4.5]decane is CC(C)(C)SN.Clc1cccc(-c2cnc(N3CCC4(CCOC4)CC3)c3[nH]cnc23)c1Cl.
What is the InChIKey of S-tert-butylthiohydroxylamine;8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is WXFAHUUAERNIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O.C4H11NS/c21-15-3-1-2-13(16(15)22)14-10-23-19(18-17(14)24-12-25-18)26-7-4-20(5-8-26)6-9-27-11-20;1-4(2,3)6-5/h1-3,10,12H,4-9,11H2,(H,24,25);5H2,1-3H3.
What are the key properties of S-tert-butylthiohydroxylamine;8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-2-oxa-8-azaspiro[4.5]decane?
S-tert-butylthiohydroxylamine;8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 508.52 g/mol, XLogP of 6.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for S-tert-butylthiohydroxylamine;8-[7-(2,3-dichlorophenyl)-3H-imidazo[4,5-c]pyridin-4-yl]-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 142403927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).