(3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C17H21N3O4S3 — CID 56532948

IUPAC(3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C17H21N3O4S3/c21-17(19-5-1-2-13(12-19)16-18-4-11-26-16)15-14(3-10-25-15)27(22,23)20-6-8-24-9-7-20/h3-4,10-11,13H,1-2,5-9,12H2
InChIKeyXSVXELQQTVREBN-UHFFFAOYSA-N
MW427.57 g/mol
LogP2.25
Rot. Bonds4

About (3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

(3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 56532948) has the molecular formula C17H21N3O4S3 and a molecular weight of 427.57 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID56532948
Molecular FormulaC17H21N3O4S3
Molecular Weight427.57 g/mol
Exact Mass427.07
IUPAC Name(3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C17H21N3O4S3/c21-17(19-5-1-2-13(12-19)16-18-4-11-26-16)15-14(3-10-25-15)27(22,23)20-6-8-24-9-7-20/h3-4,10-11,13H,1-2,5-9,12H2
InChIKeyXSVXELQQTVREBN-UHFFFAOYSA-N
XLogP2.25
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56579291
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]prop-2-en-1-one
CID 56579545
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570
1,4-diazepan-1-yl-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119414929
[3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119488448
piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 51338450
2-chloro-N,N-dimethyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 56532831
3,4-dihydro-1H-isoquinolin-2-yl-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone
CID 51284581
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone
CID 55497694
(4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125024129
2-chloro-N-methoxy-N-methyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 56533013
tert-butyl N-[1-(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-4-yl]carbamate
CID 55736034

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 56532948) is (3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCCC(c2nccs2)C1.
What is the InChIKey of (3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is XSVXELQQTVREBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S3/c21-17(19-5-1-2-13(12-19)16-18-4-11-26-16)15-14(3-10-25-15)27(22,23)20-6-8-24-9-7-20/h3-4,10-11,13H,1-2,5-9,12H2.
What are the key properties of (3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 427.57 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56532948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).