4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine

C18H26N4O3S2 — CID 55512165

IUPAC4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)CC(C)O1
InChIInChI=1S/C18H26N4O3S2/c1-14-11-22(12-15(2)25-14)27(23,24)21-9-7-20(8-10-21)13-18-19-16-5-3-4-6-17(16)26-18/h3-6,14-15H,7-13H2,1-2H3
InChIKeyVQZWUDFNEANLPL-UHFFFAOYSA-N
MW410.57 g/mol
LogP1.77
Rot. Bonds4

About 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine

4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine (PubChem CID 55512165) has the molecular formula C18H26N4O3S2 and a molecular weight of 410.57 g/mol. Its IUPAC name is 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
PubChem CID55512165
Molecular FormulaC18H26N4O3S2
Molecular Weight410.57 g/mol
Exact Mass410.14
IUPAC Name4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)CC(C)O1
InChIInChI=1S/C18H26N4O3S2/c1-14-11-22(12-15(2)25-14)27(23,24)21-9-7-20(8-10-21)13-18-19-16-5-3-4-6-17(16)26-18/h3-6,14-15H,7-13H2,1-2H3
InChIKeyVQZWUDFNEANLPL-UHFFFAOYSA-N
XLogP1.77
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N,2,6-trimethylmorpholine-4-sulfonamide
CID 17493574
1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone
CID 9238411
2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 65449041
(2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine
CID 34060541
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N,N-dipropylacetamide
CID 112796921
2,6-dimethyl-4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 46405709
3-(1,3-benzothiazol-2-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 27660934
3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 30901046
2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-1,3-benzothiazole
CID 114682379
4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 56809888
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 8693532
4-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 46405686

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine (CID 55512165) is 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine is CC1CN(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)CC(C)O1.
What is the InChIKey of 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine?
The InChIKey is VQZWUDFNEANLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S2/c1-14-11-22(12-15(2)25-14)27(23,24)21-9-7-20(8-10-21)13-18-19-16-5-3-4-6-17(16)26-18/h3-6,14-15H,7-13H2,1-2H3.
What are the key properties of 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine?
4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine has a molecular weight of 410.57 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 55512165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).