4-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]thiomorpholine

C17H33N3S — CID 106326954

IUPAC4-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]thiomorpholine
SMILESCC(C)C1CNC(C)(C2CC2)CN1CCN1CCSCC1
InChIInChI=1S/C17H33N3S/c1-14(2)16-12-18-17(3,15-4-5-15)13-20(16)7-6-19-8-10-21-11-9-19/h14-16,18H,4-13H2,1-3H3
InChIKeyCHRUXAZOQNYTME-UHFFFAOYSA-N
MW311.54 g/mol
LogP2.13
Rot. Bonds5

About 4-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]thiomorpholine

4-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]thiomorpholine (PubChem CID 106326954) has the molecular formula C17H33N3S and a molecular weight of 311.54 g/mol. Its IUPAC name is 4-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]thiomorpholine.

Molecular Properties

Compound Name4-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]thiomorpholine
PubChem CID106326954
Molecular FormulaC17H33N3S
Molecular Weight311.54 g/mol
Exact Mass311.24
IUPAC Name4-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]thiomorpholine
SMILESCC(C)C1CNC(C)(C2CC2)CN1CCN1CCSCC1
InChIInChI=1S/C17H33N3S/c1-14(2)16-12-18-17(3,15-4-5-15)13-20(16)7-6-19-8-10-21-11-9-19/h14-16,18H,4-13H2,1-3H3
InChIKeyCHRUXAZOQNYTME-UHFFFAOYSA-N
XLogP2.13
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.54
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine
CID 107298458
5-cyclopropyl-5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
CID 64934750
5-cyclopropyl-1-(3-methoxy-3-methylbutyl)-5-methyl-2-propan-2-ylpiperazine
CID 103016594
5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64934370
2-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64940605
2-butan-2-yl-5-cyclopropyl-5-methyl-1-propylpiperazine
CID 64876547
5-cyclopropyl-5-methyl-1-[3-(oxolan-2-yl)propyl]-2-propan-2-ylpiperazine
CID 65170486
5-cyclopropyl-5-methyl-1-(2-methylpentan-3-yl)-2-propan-2-ylpiperazine
CID 64946234
5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64877110
1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine
CID 64877485
5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 64876545
5-cyclopropyl-5-methyl-1-pentan-2-yl-2-propan-2-ylpiperazine
CID 64932384

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]thiomorpholine?
The IUPAC name of 4-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]thiomorpholine (CID 106326954) is 4-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]thiomorpholine.
What is the SMILES notation for 4-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]thiomorpholine?
The canonical SMILES for 4-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]thiomorpholine is CC(C)C1CNC(C)(C2CC2)CN1CCN1CCSCC1.
What is the InChIKey of 4-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]thiomorpholine?
The InChIKey is CHRUXAZOQNYTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3S/c1-14(2)16-12-18-17(3,15-4-5-15)13-20(16)7-6-19-8-10-21-11-9-19/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 4-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]thiomorpholine?
4-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]thiomorpholine has a molecular weight of 311.54 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]thiomorpholine is sourced from PubChem (CID 106326954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).