ethyl 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]piperazine-1-carboxylate

C15H23N3O4S2 — CID 47060356

IUPACethyl 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)N2CCc3sccc3C2C)CC1
InChIInChI=1S/C15H23N3O4S2/c1-3-22-15(19)16-7-9-17(10-8-16)24(20,21)18-6-4-14-13(12(18)2)5-11-23-14/h5,11-12H,3-4,6-10H2,1-2H3
InChIKeyORWLQOGDXYPJIF-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.69
Rot. Bonds3

About ethyl 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]piperazine-1-carboxylate

ethyl 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]piperazine-1-carboxylate (PubChem CID 47060356) has the molecular formula C15H23N3O4S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is ethyl 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]piperazine-1-carboxylate
PubChem CID47060356
Molecular FormulaC15H23N3O4S2
Molecular Weight373.50 g/mol
Exact Mass373.11
IUPAC Nameethyl 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)N2CCc3sccc3C2C)CC1
InChIInChI=1S/C15H23N3O4S2/c1-3-22-15(19)16-7-9-17(10-8-16)24(20,21)18-6-4-14-13(12(18)2)5-11-23-14/h5,11-12H,3-4,6-10H2,1-2H3
InChIKeyORWLQOGDXYPJIF-UHFFFAOYSA-N
XLogP1.69
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]piperazine-1-carboxylate (CID 47060356) is ethyl 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)N2CCc3sccc3C2C)CC1.
What is the InChIKey of ethyl 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]piperazine-1-carboxylate?
The InChIKey is ORWLQOGDXYPJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S2/c1-3-22-15(19)16-7-9-17(10-8-16)24(20,21)18-6-4-14-13(12(18)2)5-11-23-14/h5,11-12H,3-4,6-10H2,1-2H3.
What are the key properties of ethyl 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]piperazine-1-carboxylate?
ethyl 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]piperazine-1-carboxylate has a molecular weight of 373.50 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]piperazine-1-carboxylate is sourced from PubChem (CID 47060356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).