(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(methylsulfonylmethyl)piperidin-1-yl]methanone

C15H21N3O3S2 — CID 136546964

IUPAC(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(methylsulfonylmethyl)piperidin-1-yl]methanone
SMILESCc1nn(C)c2sc(C(=O)N3CCCCC3CS(C)(=O)=O)cc12
InChIInChI=1S/C15H21N3O3S2/c1-10-12-8-13(22-15(12)17(2)16-10)14(19)18-7-5-4-6-11(18)9-23(3,20)21/h8,11H,4-7,9H2,1-3H3
InChIKeyNBQVTCNYOPGYMT-UHFFFAOYSA-N
MW355.49 g/mol
LogP1.98
Rot. Bonds3

About (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(methylsulfonylmethyl)piperidin-1-yl]methanone

(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(methylsulfonylmethyl)piperidin-1-yl]methanone (PubChem CID 136546964) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(methylsulfonylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(methylsulfonylmethyl)piperidin-1-yl]methanone
PubChem CID136546964
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC Name(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(methylsulfonylmethyl)piperidin-1-yl]methanone
SMILESCc1nn(C)c2sc(C(=O)N3CCCCC3CS(C)(=O)=O)cc12
InChIInChI=1S/C15H21N3O3S2/c1-10-12-8-13(22-15(12)17(2)16-10)14(19)18-7-5-4-6-11(18)9-23(3,20)21/h8,11H,4-7,9H2,1-3H3
InChIKeyNBQVTCNYOPGYMT-UHFFFAOYSA-N
XLogP1.98
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95286876
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416107
[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
CID 86951494
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 97313694
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 51305036
N-[[1-[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-2-yl]methyl]methanesulfonamide
CID 55677976
[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 119467604
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(2-methylpiperazin-1-yl)methanone
CID 119471958
1,3-dimethyl-N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119652255
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(7-methyl-1,4-thiazepan-4-yl)methanone
CID 166227098
1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118960
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 51314771

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(methylsulfonylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(methylsulfonylmethyl)piperidin-1-yl]methanone (CID 136546964) is (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(methylsulfonylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(methylsulfonylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(methylsulfonylmethyl)piperidin-1-yl]methanone is Cc1nn(C)c2sc(C(=O)N3CCCCC3CS(C)(=O)=O)cc12.
What is the InChIKey of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(methylsulfonylmethyl)piperidin-1-yl]methanone?
The InChIKey is NBQVTCNYOPGYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-10-12-8-13(22-15(12)17(2)16-10)14(19)18-7-5-4-6-11(18)9-23(3,20)21/h8,11H,4-7,9H2,1-3H3.
What are the key properties of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(methylsulfonylmethyl)piperidin-1-yl]methanone?
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(methylsulfonylmethyl)piperidin-1-yl]methanone has a molecular weight of 355.49 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(methylsulfonylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 136546964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).