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

C18H23N3O3S3 — CID 56579291

IUPAC(3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1sccc1S(=O)(=O)N1CCCCC1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C18H23N3O3S3/c22-18(20-8-4-5-14(13-20)17-19-7-12-26-17)16-15(6-11-25-16)27(23,24)21-9-2-1-3-10-21/h6-7,11-12,14H,1-5,8-10,13H2
InChIKeyRYIDQWOUMGDAQL-UHFFFAOYSA-N
MW425.60 g/mol
LogP3.40
Rot. Bonds4

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

(3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 56579291) has the molecular formula C18H23N3O3S3 and a molecular weight of 425.60 g/mol. Its IUPAC name is (3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID56579291
Molecular FormulaC18H23N3O3S3
Molecular Weight425.60 g/mol
Exact Mass425.09
IUPAC Name(3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1sccc1S(=O)(=O)N1CCCCC1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C18H23N3O3S3/c22-18(20-8-4-5-14(13-20)17-19-7-12-26-17)16-15(6-11-25-16)27(23,24)21-9-2-1-3-10-21/h6-7,11-12,14H,1-5,8-10,13H2
InChIKeyRYIDQWOUMGDAQL-UHFFFAOYSA-N
XLogP3.40
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56532948
piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 51338450
[3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119488448
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone
CID 55497694
[3-(aminomethyl)pyrrolidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119483874
2-chloro-N,N-dimethyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 56532831
(4-methylpiperazin-1-yl)-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 134033914
3-(1,3-thiazol-2-yl)azepane-1-carboxamide
CID 67258050
1,4-diazepan-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119414812
(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

Frequently Asked Questions

What is the IUPAC name of (3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 56579291) is (3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is O=C(c1sccc1S(=O)(=O)N1CCCCC1)N1CCCC(c2nccs2)C1.
What is the InChIKey of (3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is RYIDQWOUMGDAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S3/c22-18(20-8-4-5-14(13-20)17-19-7-12-26-17)16-15(6-11-25-16)27(23,24)21-9-2-1-3-10-21/h6-7,11-12,14H,1-5,8-10,13H2.
What are the key properties of (3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 425.60 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperidin-1-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56579291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).