N-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-piperazin-1-ylpropyl]methanesulfonamide

C16H24N4O3S2 — CID 69361581

IUPACN-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-piperazin-1-ylpropyl]methanesulfonamide
SMILESCc1nc2cc(OC(CNS(C)(=O)=O)CN3CCNCC3)ccc2s1
InChIInChI=1S/C16H24N4O3S2/c1-12-19-15-9-13(3-4-16(15)24-12)23-14(10-18-25(2,21)22)11-20-7-5-17-6-8-20/h3-4,9,14,17-18H,5-8,10-11H2,1-2H3
InChIKeyIVJXQGGDPOINCU-UHFFFAOYSA-N
MW384.53 g/mol
LogP0.81
Rot. Bonds7

About N-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-piperazin-1-ylpropyl]methanesulfonamide

N-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-piperazin-1-ylpropyl]methanesulfonamide (PubChem CID 69361581) has the molecular formula C16H24N4O3S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-piperazin-1-ylpropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-piperazin-1-ylpropyl]methanesulfonamide
PubChem CID69361581
Molecular FormulaC16H24N4O3S2
Molecular Weight384.53 g/mol
Exact Mass384.13
IUPAC NameN-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-piperazin-1-ylpropyl]methanesulfonamide
SMILESCc1nc2cc(OC(CNS(C)(=O)=O)CN3CCNCC3)ccc2s1
InChIInChI=1S/C16H24N4O3S2/c1-12-19-15-9-13(3-4-16(15)24-12)23-14(10-18-25(2,21)22)11-20-7-5-17-6-8-20/h3-4,9,14,17-18H,5-8,10-11H2,1-2H3
InChIKeyIVJXQGGDPOINCU-UHFFFAOYSA-N
XLogP0.81
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-piperazin-1-ylpropyl]methanesulfonamide?
The IUPAC name of N-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-piperazin-1-ylpropyl]methanesulfonamide (CID 69361581) is N-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-piperazin-1-ylpropyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-piperazin-1-ylpropyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-piperazin-1-ylpropyl]methanesulfonamide is Cc1nc2cc(OC(CNS(C)(=O)=O)CN3CCNCC3)ccc2s1.
What is the InChIKey of N-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-piperazin-1-ylpropyl]methanesulfonamide?
The InChIKey is IVJXQGGDPOINCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S2/c1-12-19-15-9-13(3-4-16(15)24-12)23-14(10-18-25(2,21)22)11-20-7-5-17-6-8-20/h3-4,9,14,17-18H,5-8,10-11H2,1-2H3.
What are the key properties of N-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-piperazin-1-ylpropyl]methanesulfonamide?
N-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-piperazin-1-ylpropyl]methanesulfonamide has a molecular weight of 384.53 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-piperazin-1-ylpropyl]methanesulfonamide is sourced from PubChem (CID 69361581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).