(4-methylcyclohexyl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone

C21H32N2O2S — CID 131690248

IUPAC(4-methylcyclohexyl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCC1CCC(C(=O)N2CCC3(CC2)CN(Cc2cccs2)CCO3)CC1
InChIInChI=1S/C21H32N2O2S/c1-17-4-6-18(7-5-17)20(24)23-10-8-21(9-11-23)16-22(12-13-25-21)15-19-3-2-14-26-19/h2-3,14,17-18H,4-13,15-16H2,1H3
InChIKeyOSLRQXRODBLSIG-UHFFFAOYSA-N
MW376.57 g/mol
LogP3.77
Rot. Bonds3

About (4-methylcyclohexyl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone

(4-methylcyclohexyl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 131690248) has the molecular formula C21H32N2O2S and a molecular weight of 376.57 g/mol. Its IUPAC name is (4-methylcyclohexyl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID131690248
Molecular FormulaC21H32N2O2S
Molecular Weight376.57 g/mol
Exact Mass376.22
IUPAC Name(4-methylcyclohexyl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCC1CCC(C(=O)N2CCC3(CC2)CN(Cc2cccs2)CCO3)CC1
InChIInChI=1S/C21H32N2O2S/c1-17-4-6-18(7-5-17)20(24)23-10-8-21(9-11-23)16-22(12-13-25-21)15-19-3-2-14-26-19/h2-3,14,17-18H,4-13,15-16H2,1H3
InChIKeyOSLRQXRODBLSIG-UHFFFAOYSA-N
XLogP3.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methylcyclohexyl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone 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-thiophen-2-yl-1-[4-(thiophen-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]ethanone
CID 131669522
(2-methyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131935308
4-benzyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372231
9-(5-fluoropyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450776
phenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 97372283
3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 156608361
pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone
CID 97383852
3-[[9-(cyclopentanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methyl]benzoic acid;formic acid
CID 154911849
2,2-dimethyl-1-[4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 78802784
cyclopent-3-en-1-yl-[4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450797
[(3R)-oxolan-3-yl]-[4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450798
[4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-thiophen-2-ylmethanone
CID 97372226

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (4-methylcyclohexyl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 131690248) is (4-methylcyclohexyl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (4-methylcyclohexyl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (4-methylcyclohexyl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone is CC1CCC(C(=O)N2CCC3(CC2)CN(Cc2cccs2)CCO3)CC1.
What is the InChIKey of (4-methylcyclohexyl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is OSLRQXRODBLSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2S/c1-17-4-6-18(7-5-17)20(24)23-10-8-21(9-11-23)16-22(12-13-25-21)15-19-3-2-14-26-19/h2-3,14,17-18H,4-13,15-16H2,1H3.
What are the key properties of (4-methylcyclohexyl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
(4-methylcyclohexyl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 376.57 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 131690248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).