2-ethyl-2'-methyl-6'-[1-(2-methylsulfonylethyl)pyrazol-4-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C20H29N3O3S2 — CID 164725502

IUPAC2-ethyl-2'-methyl-6'-[1-(2-methylsulfonylethyl)pyrazol-4-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCCc1cc2c(s1)CCOC21CC(C)NC(c2cnn(CCS(C)(=O)=O)c2)C1
InChIInChI=1S/C20H29N3O3S2/c1-4-16-9-17-19(27-16)5-7-26-20(17)10-14(2)22-18(11-20)15-12-21-23(13-15)6-8-28(3,24)25/h9,12-14,18,22H,4-8,10-11H2,1-3H3
InChIKeyPWYGISGWCWZHJM-UHFFFAOYSA-N
MW423.60 g/mol
LogP2.83
Rot. Bonds5

About 2-ethyl-2'-methyl-6'-[1-(2-methylsulfonylethyl)pyrazol-4-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

2-ethyl-2'-methyl-6'-[1-(2-methylsulfonylethyl)pyrazol-4-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 164725502) has the molecular formula C20H29N3O3S2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 2-ethyl-2'-methyl-6'-[1-(2-methylsulfonylethyl)pyrazol-4-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name2-ethyl-2'-methyl-6'-[1-(2-methylsulfonylethyl)pyrazol-4-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID164725502
Molecular FormulaC20H29N3O3S2
Molecular Weight423.60 g/mol
Exact Mass423.17
IUPAC Name2-ethyl-2'-methyl-6'-[1-(2-methylsulfonylethyl)pyrazol-4-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCCc1cc2c(s1)CCOC21CC(C)NC(c2cnn(CCS(C)(=O)=O)c2)C1
InChIInChI=1S/C20H29N3O3S2/c1-4-16-9-17-19(27-16)5-7-26-20(17)10-14(2)22-18(11-20)15-12-21-23(13-15)6-8-28(3,24)25/h9,12-14,18,22H,4-8,10-11H2,1-3H3
InChIKeyPWYGISGWCWZHJM-UHFFFAOYSA-N
XLogP2.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-2'-methyl-6'-[1-(2-methylsulfonylethyl)pyrazol-4-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] 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

(2'S,4S,6'S)-2-chloro-2'-methyl-6'-(1-methyltriazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 164725841
2-ethyl-1'-[[1-[2-(oxan-4-ylsulfonyl)ethyl]triazol-4-yl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139073
1'-[[1-(2-tert-butylsulfonylethyl)triazol-4-yl]methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139818
(2'S,6'S)-2-ethyl-2',7-dimethyl-6'-(1-methyltriazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 164725826
(2'S,4S,6'S)-2-ethyl-2',7-dimethyl-6'-(1-methyltriazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 167023941
(2'S,6'R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 164725572
(2'S,7R)-2-(ethoxymethyl)-2'-methyl-1'-[[1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169139244
(2'S,4R)-2-ethyl-2'-methyl-1'-[[1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]triazol-4-yl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 170125773
2-methyl-1'-[[1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169139588
N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]-2-methylsulfonylacetamide
CID 169138932
ethane;2-methyl-1'-[[1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169139587
(2'S,7R)-2,3-dichloro-2'-methyl-1'-[[1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169139194

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2'-methyl-6'-[1-(2-methylsulfonylethyl)pyrazol-4-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 2-ethyl-2'-methyl-6'-[1-(2-methylsulfonylethyl)pyrazol-4-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 164725502) is 2-ethyl-2'-methyl-6'-[1-(2-methylsulfonylethyl)pyrazol-4-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 2-ethyl-2'-methyl-6'-[1-(2-methylsulfonylethyl)pyrazol-4-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 2-ethyl-2'-methyl-6'-[1-(2-methylsulfonylethyl)pyrazol-4-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is CCc1cc2c(s1)CCOC21CC(C)NC(c2cnn(CCS(C)(=O)=O)c2)C1.
What is the InChIKey of 2-ethyl-2'-methyl-6'-[1-(2-methylsulfonylethyl)pyrazol-4-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is PWYGISGWCWZHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S2/c1-4-16-9-17-19(27-16)5-7-26-20(17)10-14(2)22-18(11-20)15-12-21-23(13-15)6-8-28(3,24)25/h9,12-14,18,22H,4-8,10-11H2,1-3H3.
What are the key properties of 2-ethyl-2'-methyl-6'-[1-(2-methylsulfonylethyl)pyrazol-4-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
2-ethyl-2'-methyl-6'-[1-(2-methylsulfonylethyl)pyrazol-4-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 423.60 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2'-methyl-6'-[1-(2-methylsulfonylethyl)pyrazol-4-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 164725502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).