tert-butyl 4-(aminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

C13H20N2O2S — CID 146049782

IUPACtert-butyl 4-(aminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2sccc2C1CN
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)17-12(16)15-6-4-11-9(5-7-18-11)10(15)8-14/h5,7,10H,4,6,8,14H2,1-3H3
InChIKeySXYGRARVNCGTBV-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.54
Rot. Bonds1

About tert-butyl 4-(aminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

tert-butyl 4-(aminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (PubChem CID 146049782) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is tert-butyl 4-(aminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(aminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
PubChem CID146049782
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Nametert-butyl 4-(aminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2sccc2C1CN
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)17-12(16)15-6-4-11-9(5-7-18-11)10(15)8-14/h5,7,10H,4,6,8,14H2,1-3H3
InChIKeySXYGRARVNCGTBV-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(aminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 3-(thiophen-2-yl)piperazine-1-carboxylate
CID 2771741
tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 18377286
N-cyclopentyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 18137963
Tert-butyl (1-(thiophen-2-ylmethyl)piperidin-3-yl)carbamate
CID 46785877
1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 47089988
3-(diethylamino)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-1-carboxamide
CID 154745727
(2S)-2-amino-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 172447003
(6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl)methanamine
CID 178298318
N-methyl-1-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-7-yl)methanamine
CID 178299078
(6-pentyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl)methanamine
CID 178315658
(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl)methanamine
CID 178317828
2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}propan-1-amine
CID 16789654

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(aminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 4-(aminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (CID 146049782) is tert-butyl 4-(aminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 4-(aminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 4-(aminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1CCc2sccc2C1CN.
What is the InChIKey of tert-butyl 4-(aminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The InChIKey is SXYGRARVNCGTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(2,3)17-12(16)15-6-4-11-9(5-7-18-11)10(15)8-14/h5,7,10H,4,6,8,14H2,1-3H3.
What are the key properties of tert-butyl 4-(aminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
tert-butyl 4-(aminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(aminomethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is sourced from PubChem (CID 146049782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).