6-(2-methylpiperidin-1-yl)sulfonyl-3-(3-morpholin-4-yl-3-oxopropyl)-1,3-benzothiazol-2-one

C20H27N3O5S2 — CID 53081101

IUPAC6-(2-methylpiperidin-1-yl)sulfonyl-3-(3-morpholin-4-yl-3-oxopropyl)-1,3-benzothiazol-2-one
SMILESCC1CCCCN1S(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCOCC1
InChIInChI=1S/C20H27N3O5S2/c1-15-4-2-3-8-23(15)30(26,27)16-5-6-17-18(14-16)29-20(25)22(17)9-7-19(24)21-10-12-28-13-11-21/h5-6,14-15H,2-4,7-13H2,1H3
InChIKeyQOZSXQYSIJWKTA-UHFFFAOYSA-N
MW453.59 g/mol
LogP1.88
Rot. Bonds5

About 6-(2-methylpiperidin-1-yl)sulfonyl-3-(3-morpholin-4-yl-3-oxopropyl)-1,3-benzothiazol-2-one

6-(2-methylpiperidin-1-yl)sulfonyl-3-(3-morpholin-4-yl-3-oxopropyl)-1,3-benzothiazol-2-one (PubChem CID 53081101) has the molecular formula C20H27N3O5S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 6-(2-methylpiperidin-1-yl)sulfonyl-3-(3-morpholin-4-yl-3-oxopropyl)-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-(2-methylpiperidin-1-yl)sulfonyl-3-(3-morpholin-4-yl-3-oxopropyl)-1,3-benzothiazol-2-one
PubChem CID53081101
Molecular FormulaC20H27N3O5S2
Molecular Weight453.59 g/mol
Exact Mass453.14
IUPAC Name6-(2-methylpiperidin-1-yl)sulfonyl-3-(3-morpholin-4-yl-3-oxopropyl)-1,3-benzothiazol-2-one
SMILESCC1CCCCN1S(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCOCC1
InChIInChI=1S/C20H27N3O5S2/c1-15-4-2-3-8-23(15)30(26,27)16-5-6-17-18(14-16)29-20(25)22(17)9-7-19(24)21-10-12-28-13-11-21/h5-6,14-15H,2-4,7-13H2,1H3
InChIKeyQOZSXQYSIJWKTA-UHFFFAOYSA-N
XLogP1.88
TPSA88.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one
CID 97044319
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
1-methyl-6-(2-methylpiperidin-1-yl)sulfonyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-2,4-dione
CID 50831845
N-cyclopentyl-2-oxo-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-benzothiazole-6-sulfonamide
CID 53080995
6-(4-methylpiperazin-1-yl)sulfonyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one
CID 53080509
N-(2-ethyl-6-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53081129
N-(2,3-dimethylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53081088
N-(3-chloro-4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53081110
N-(4-methylcyclohexyl)-2-oxo-3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-benzothiazole-6-sulfonamide
CID 53081041
N-(4-methyl-2-pyridinyl)-3-(3-morpholin-4-yl-3-oxopropyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53081116
N-(2-methoxy-5-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53081148
N-(5-chloro-2-methoxyphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53081139

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpiperidin-1-yl)sulfonyl-3-(3-morpholin-4-yl-3-oxopropyl)-1,3-benzothiazol-2-one?
The IUPAC name of 6-(2-methylpiperidin-1-yl)sulfonyl-3-(3-morpholin-4-yl-3-oxopropyl)-1,3-benzothiazol-2-one (CID 53081101) is 6-(2-methylpiperidin-1-yl)sulfonyl-3-(3-morpholin-4-yl-3-oxopropyl)-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-(2-methylpiperidin-1-yl)sulfonyl-3-(3-morpholin-4-yl-3-oxopropyl)-1,3-benzothiazol-2-one?
The canonical SMILES for 6-(2-methylpiperidin-1-yl)sulfonyl-3-(3-morpholin-4-yl-3-oxopropyl)-1,3-benzothiazol-2-one is CC1CCCCN1S(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCOCC1.
What is the InChIKey of 6-(2-methylpiperidin-1-yl)sulfonyl-3-(3-morpholin-4-yl-3-oxopropyl)-1,3-benzothiazol-2-one?
The InChIKey is QOZSXQYSIJWKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S2/c1-15-4-2-3-8-23(15)30(26,27)16-5-6-17-18(14-16)29-20(25)22(17)9-7-19(24)21-10-12-28-13-11-21/h5-6,14-15H,2-4,7-13H2,1H3.
What are the key properties of 6-(2-methylpiperidin-1-yl)sulfonyl-3-(3-morpholin-4-yl-3-oxopropyl)-1,3-benzothiazol-2-one?
6-(2-methylpiperidin-1-yl)sulfonyl-3-(3-morpholin-4-yl-3-oxopropyl)-1,3-benzothiazol-2-one has a molecular weight of 453.59 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpiperidin-1-yl)sulfonyl-3-(3-morpholin-4-yl-3-oxopropyl)-1,3-benzothiazol-2-one is sourced from PubChem (CID 53081101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).