tert-butyl 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C15H21NO2S — CID 68874098

IUPACtert-butyl 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1ccsc1C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H21NO2S/c1-11-7-10-19-13(11)12-5-8-16(9-6-12)14(17)18-15(2,3)4/h5,7,10H,6,8-9H2,1-4H3
InChIKeySWENIFFBLUUXQE-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.08
Rot. Bonds1

About tert-butyl 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 68874098) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is tert-butyl 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID68874098
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Nametert-butyl 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1ccsc1C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H21NO2S/c1-11-7-10-19-13(11)12-5-8-16(9-6-12)14(17)18-15(2,3)4/h5,7,10H,6,8-9H2,1-4H3
InChIKeySWENIFFBLUUXQE-UHFFFAOYSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 18377286
tert-butyl 2-ethynyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 146155871
Ethyl4-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxylate
CID 6456281
tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10706828
tert-Butyl 4-(thiophen-3-yl)piperidine-1-carboxylate
CID 53426264
tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 63790264
tert-butyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)piperidine-1-carboxylate
CID 72149212
1,1-Dimethylethyl 2-fluoro-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate
CID 73554390
Tert-butyl 4-[5-(2-fluorophenyl)thiophen-2-yl]piperidine-1-carboxylate
CID 132221512
tert-butyl 4-[5-(2-fluorophenyl)thiophen-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 139530024
tert-butyl 4-(difluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 146571009
Tert-butyl 4,4-difluoro-3-thiophen-2-ylpiperidine-1-carboxylate
CID 166519232

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 68874098) is tert-butyl 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is Cc1ccsc1C1=CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is SWENIFFBLUUXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11-7-10-19-13(11)12-5-8-16(9-6-12)14(17)18-15(2,3)4/h5,7,10H,6,8-9H2,1-4H3.
What are the key properties of tert-butyl 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 279.40 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methylthiophen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 68874098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).