4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylmorpholine

C16H28N4O3S2 — CID 47028784

IUPAC4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylmorpholine
SMILESCC(C)(C)c1nc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cs1
InChIInChI=1S/C16H28N4O3S2/c1-16(2,3)15-17-14(13-24-15)12-18-4-6-19(7-5-18)25(21,22)20-8-10-23-11-9-20/h13H,4-12H2,1-3H3
InChIKeyIOSWREKSOORZGW-UHFFFAOYSA-N
MW388.56 g/mol
LogP1.14
Rot. Bonds4

About 4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylmorpholine

4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylmorpholine (PubChem CID 47028784) has the molecular formula C16H28N4O3S2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylmorpholine
PubChem CID47028784
Molecular FormulaC16H28N4O3S2
Molecular Weight388.56 g/mol
Exact Mass388.16
IUPAC Name4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylmorpholine
SMILESCC(C)(C)c1nc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cs1
InChIInChI=1S/C16H28N4O3S2/c1-16(2,3)15-17-14(13-24-15)12-18-4-6-19(7-5-18)25(21,22)20-8-10-23-11-9-20/h13H,4-12H2,1-3H3
InChIKeyIOSWREKSOORZGW-UHFFFAOYSA-N
XLogP1.14
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylmorpholine (CID 47028784) is 4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylmorpholine is CC(C)(C)c1nc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cs1.
What is the InChIKey of 4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylmorpholine?
The InChIKey is IOSWREKSOORZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S2/c1-16(2,3)15-17-14(13-24-15)12-18-4-6-19(7-5-18)25(21,22)20-8-10-23-11-9-20/h13H,4-12H2,1-3H3.
What are the key properties of 4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylmorpholine?
4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylmorpholine has a molecular weight of 388.56 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 47028784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).