6-(4-methylpiperazin-1-yl)sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one

C18H24N4O5S2 — CID 53080509

IUPAC6-(4-methylpiperazin-1-yl)sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one
SMILESCN1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H24N4O5S2/c1-19-4-6-21(7-5-19)29(25,26)14-2-3-15-16(12-14)28-18(24)22(15)13-17(23)20-8-10-27-11-9-20/h2-3,12H,4-11,13H2,1H3
InChIKeyZFVCKURPYSHATN-UHFFFAOYSA-N
MW440.55 g/mol
LogP-0.14
Rot. Bonds4

About 6-(4-methylpiperazin-1-yl)sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one

6-(4-methylpiperazin-1-yl)sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one (PubChem CID 53080509) has the molecular formula C18H24N4O5S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one
PubChem CID53080509
Molecular FormulaC18H24N4O5S2
Molecular Weight440.55 g/mol
Exact Mass440.12
IUPAC Name6-(4-methylpiperazin-1-yl)sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one
SMILESCN1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H24N4O5S2/c1-19-4-6-21(7-5-19)29(25,26)14-2-3-15-16(12-14)28-18(24)22(15)13-17(23)20-8-10-27-11-9-20/h2-3,12H,4-11,13H2,1H3
InChIKeyZFVCKURPYSHATN-UHFFFAOYSA-N
XLogP-0.14
TPSA92.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(4-methylpiperazin-1-yl)sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one with MolForge

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Related Compounds

3-(2-oxo-2-pyrrolidin-1-ylethyl)-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-one
CID 53007192
6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one
CID 97044319
N-(4-methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53080466
6-(2-methylpiperidin-1-yl)sulfonyl-3-(3-morpholin-4-yl-3-oxopropyl)-1,3-benzothiazol-2-one
CID 53081101
N-(2,3-dimethylphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53080479
3-(2-morpholin-4-yl-2-oxoethyl)-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 19259995
N-[(2-methoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53080516
3-benzyl-6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-one
CID 100739592
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-one
CID 53028734
ethyl 4-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperazine-1-carboxylate
CID 100717872
N-(3-chloro-4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53081110
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 20879615

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one?
The IUPAC name of 6-(4-methylpiperazin-1-yl)sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one (CID 53080509) is 6-(4-methylpiperazin-1-yl)sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one is CN1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one?
The InChIKey is ZFVCKURPYSHATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S2/c1-19-4-6-21(7-5-19)29(25,26)14-2-3-15-16(12-14)28-18(24)22(15)13-17(23)20-8-10-27-11-9-20/h2-3,12H,4-11,13H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one?
6-(4-methylpiperazin-1-yl)sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one has a molecular weight of 440.55 g/mol, XLogP of -0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one is sourced from PubChem (CID 53080509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).