tert-butyl 4-(furo[3,2-c]pyridine-2-carbonylsulfanyl)piperidine-1-carboxylate

C18H22N2O4S — CID 11494262

IUPACtert-butyl 4-(furo[3,2-c]pyridine-2-carbonylsulfanyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(SC(=O)c2cc3cnccc3o2)CC1
InChIInChI=1S/C18H22N2O4S/c1-18(2,3)24-17(22)20-8-5-13(6-9-20)25-16(21)15-10-12-11-19-7-4-14(12)23-15/h4,7,10-11,13H,5-6,8-9H2,1-3H3
InChIKeyLOSLTIOAAZYMPU-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.10
Rot. Bonds2

About tert-butyl 4-(furo[3,2-c]pyridine-2-carbonylsulfanyl)piperidine-1-carboxylate

tert-butyl 4-(furo[3,2-c]pyridine-2-carbonylsulfanyl)piperidine-1-carboxylate (PubChem CID 11494262) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is tert-butyl 4-(furo[3,2-c]pyridine-2-carbonylsulfanyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(furo[3,2-c]pyridine-2-carbonylsulfanyl)piperidine-1-carboxylate
PubChem CID11494262
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Nametert-butyl 4-(furo[3,2-c]pyridine-2-carbonylsulfanyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(SC(=O)c2cc3cnccc3o2)CC1
InChIInChI=1S/C18H22N2O4S/c1-18(2,3)24-17(22)20-8-5-13(6-9-20)25-16(21)15-10-12-11-19-7-4-14(12)23-15/h4,7,10-11,13H,5-6,8-9H2,1-3H3
InChIKeyLOSLTIOAAZYMPU-UHFFFAOYSA-N
XLogP4.10
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate
CID 19597717
tert-butyl 4-[2-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethenyl]piperidine-1-carboxylate
CID 68946388
tert-butyl 4-[ethyl-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxylate
CID 90848908
tert-butyl 4-(4-cyano-3-pyridinyl)piperidine-1-carboxylate
CID 175285098
tert-butyl (3S,5R)-4-(isoquinolin-6-ylmethyl)-3,5-dimethyl-1,4-diazepane-1-carboxylate
CID 58080805
tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate
CID 174174191
tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate
CID 11244883
tert-butyl 4-aminosulfanylpiperidine-1-carboxylate
CID 135202849
tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine
CID 123647865
tert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate
CID 67067068
tert-butyl piperidine-1-carboxylate;pyridin-3-amine
CID 172593579
tert-butyl (3S)-3-benzoylsulfanylpyrrolidine-1-carboxylate
CID 54255265

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(furo[3,2-c]pyridine-2-carbonylsulfanyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(furo[3,2-c]pyridine-2-carbonylsulfanyl)piperidine-1-carboxylate (CID 11494262) is tert-butyl 4-(furo[3,2-c]pyridine-2-carbonylsulfanyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(furo[3,2-c]pyridine-2-carbonylsulfanyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(furo[3,2-c]pyridine-2-carbonylsulfanyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(SC(=O)c2cc3cnccc3o2)CC1.
What is the InChIKey of tert-butyl 4-(furo[3,2-c]pyridine-2-carbonylsulfanyl)piperidine-1-carboxylate?
The InChIKey is LOSLTIOAAZYMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-18(2,3)24-17(22)20-8-5-13(6-9-20)25-16(21)15-10-12-11-19-7-4-14(12)23-15/h4,7,10-11,13H,5-6,8-9H2,1-3H3.
What are the key properties of tert-butyl 4-(furo[3,2-c]pyridine-2-carbonylsulfanyl)piperidine-1-carboxylate?
tert-butyl 4-(furo[3,2-c]pyridine-2-carbonylsulfanyl)piperidine-1-carboxylate has a molecular weight of 362.45 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(furo[3,2-c]pyridine-2-carbonylsulfanyl)piperidine-1-carboxylate is sourced from PubChem (CID 11494262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).