tert-butyl N-methyl-N-[3-[(7S)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl]cyclobutyl]carbamate

C19H28N2O3S — CID 171359752

IUPACtert-butyl N-methyl-N-[3-[(7S)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl]cyclobutyl]carbamate
SMILESC[C@H]1c2sccc2CCN1C(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H28N2O3S/c1-12-16-13(7-9-25-16)6-8-21(12)17(22)14-10-15(11-14)20(5)18(23)24-19(2,3)4/h7,9,12,14-15H,6,8,10-11H2,1-5H3/t12-,14?,15?/m0/s1
InChIKeyMZTJHUPLWYHLLZ-GRTSSRMGSA-N
MW364.51 g/mol
LogP3.84
Rot. Bonds2

About tert-butyl N-methyl-N-[3-[(7S)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl]cyclobutyl]carbamate

tert-butyl N-methyl-N-[3-[(7S)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl]cyclobutyl]carbamate (PubChem CID 171359752) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[3-[(7S)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[3-[(7S)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl]cyclobutyl]carbamate
PubChem CID171359752
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Nametert-butyl N-methyl-N-[3-[(7S)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl]cyclobutyl]carbamate
SMILESC[C@H]1c2sccc2CCN1C(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H28N2O3S/c1-12-16-13(7-9-25-16)6-8-21(12)17(22)14-10-15(11-14)20(5)18(23)24-19(2,3)4/h7,9,12,14-15H,6,8,10-11H2,1-5H3/t12-,14?,15?/m0/s1
InChIKeyMZTJHUPLWYHLLZ-GRTSSRMGSA-N
XLogP3.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-methyl-N-[3-[(7S)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl]cyclobutyl]carbamate with MolForge

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Related Compounds

tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 18377286
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethylbutan-1-one
CID 40118713
1-isopropyl-N-(2-methoxyethyl)-N-[(3-methyl-2-thienyl)methyl]piperidine-4-carboxamide
CID 50976231
Tert-butyl 4-(3-cyclopropylthiophene-2-carbonyl)piperazine-1-carboxylate
CID 71884191
Tert-butyl 3-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]azetidine-1-carboxylate
CID 71984952
2-amino-1-(4H,5H,6H,7H-thieno(3,2-c)pyridin-5-yl)pentan-1-one
CID 43650000
tert-butyl 4-(aminomethyl)-4H,5H,6H,7H-thieno(3,2-c)pyridine-5-carboxylate
CID 146049782
1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)propan-1-one
CID 60708784
(4S)-1-cyclopentyl-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrrolidin-2-one
CID 29648296
tert-butyl (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrrolidine-1-carboxylate
CID 40140487
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methylpyrrolidin-2-one
CID 45812199
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 45837286

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[3-[(7S)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[3-[(7S)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl]cyclobutyl]carbamate (CID 171359752) is tert-butyl N-methyl-N-[3-[(7S)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[3-[(7S)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[3-[(7S)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl]cyclobutyl]carbamate is C[C@H]1c2sccc2CCN1C(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-methyl-N-[3-[(7S)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl]cyclobutyl]carbamate?
The InChIKey is MZTJHUPLWYHLLZ-GRTSSRMGSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-12-16-13(7-9-25-16)6-8-21(12)17(22)14-10-15(11-14)20(5)18(23)24-19(2,3)4/h7,9,12,14-15H,6,8,10-11H2,1-5H3/t12-,14?,15?/m0/s1.
What are the key properties of tert-butyl N-methyl-N-[3-[(7S)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl]cyclobutyl]carbamate?
tert-butyl N-methyl-N-[3-[(7S)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl]cyclobutyl]carbamate has a molecular weight of 364.51 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[3-[(7S)-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonyl]cyclobutyl]carbamate is sourced from PubChem (CID 171359752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).