3-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]thiomorpholine

C14H29N3S — CID 66420352

IUPAC3-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]thiomorpholine
SMILESCCC(C)N1CCN(CCC2CSCCN2)CC1
InChIInChI=1S/C14H29N3S/c1-3-13(2)17-9-7-16(8-10-17)6-4-14-12-18-11-5-15-14/h13-15H,3-12H2,1-2H3
InChIKeyKIQPUUKGTRXWRS-UHFFFAOYSA-N
MW271.47 g/mol
LogP1.50
Rot. Bonds5

About 3-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]thiomorpholine

3-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]thiomorpholine (PubChem CID 66420352) has the molecular formula C14H29N3S and a molecular weight of 271.47 g/mol. Its IUPAC name is 3-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]thiomorpholine.

Molecular Properties

Compound Name3-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]thiomorpholine
PubChem CID66420352
Molecular FormulaC14H29N3S
Molecular Weight271.47 g/mol
Exact Mass271.21
IUPAC Name3-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]thiomorpholine
SMILESCCC(C)N1CCN(CCC2CSCCN2)CC1
InChIInChI=1S/C14H29N3S/c1-3-13(2)17-9-7-16(8-10-17)6-4-14-12-18-11-5-15-14/h13-15H,3-12H2,1-2H3
InChIKeyKIQPUUKGTRXWRS-UHFFFAOYSA-N
XLogP1.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-amine
CID 45791253
1-(Tetrahydro-2H-thiopyran-4-yl)piperazine dihydrochloride
CID 54759030
1-(tetrahydro-2H-thiopyran-4-yl)piperazine
CID 45791268
3-[2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]ethyl]thiomorpholine
CID 66419968
3-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]thiomorpholine
CID 82917032
N-(2-thiomorpholin-4-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103783186
4-(3-Fluoropiperidin-4-yl)-3-methylthiomorpholine
CID 164646625
1-methyl-N-(thian-4-yl)piperidin-4-amine
CID 43394899
3-(Piperidinomethyl)thiomorpholine
CID 18915121
N,N-dimethyl-1-thiomorpholin-3-ylmethanamine
CID 23090305
N,N-dimethyl-1-thiomorpholin-3-ylethanamine
CID 23090382
N-methyl-1-thiomorpholin-3-ylethanamine
CID 23090462

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]thiomorpholine?
The IUPAC name of 3-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]thiomorpholine (CID 66420352) is 3-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]thiomorpholine.
What is the SMILES notation for 3-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]thiomorpholine?
The canonical SMILES for 3-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]thiomorpholine is CCC(C)N1CCN(CCC2CSCCN2)CC1.
What is the InChIKey of 3-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]thiomorpholine?
The InChIKey is KIQPUUKGTRXWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3S/c1-3-13(2)17-9-7-16(8-10-17)6-4-14-12-18-11-5-15-14/h13-15H,3-12H2,1-2H3.
What are the key properties of 3-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]thiomorpholine?
3-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]thiomorpholine has a molecular weight of 271.47 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]thiomorpholine is sourced from PubChem (CID 66420352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).