tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate

C15H24N2O2S — CID 102546900

IUPACtert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(SC(C)(C)C)nc1
InChIInChI=1S/C15H24N2O2S/c1-14(2,3)19-13(18)17-10-11-7-8-12(16-9-11)20-15(4,5)6/h7-9H,10H2,1-6H3,(H,17,18)
InChIKeySRHKOVDGOSTFOE-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.00
Rot. Bonds3

About tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate

tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate (PubChem CID 102546900) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate
PubChem CID102546900
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nametert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(SC(C)(C)C)nc1
InChIInChI=1S/C15H24N2O2S/c1-14(2,3)19-13(18)17-10-11-7-8-12(16-9-11)20-15(4,5)6/h7-9H,10H2,1-6H3,(H,17,18)
InChIKeySRHKOVDGOSTFOE-UHFFFAOYSA-N
XLogP4.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(6-methylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546552
tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700
N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 80639274
tert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate
CID 174275722
tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate
CID 67390801
tert-butyl 2-[[5-(methylaminomethyl)-2-pyridinyl]sulfanyl]acetate
CID 116687805
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
tert-butyl N-[(2-cyanopyrimidin-5-yl)methyl]carbamate
CID 22476025
tert-butyl N-[(6-bromo-3-pyridinyl)methyl]carbamate;oxane
CID 146014726
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976
tert-butyl N-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]carbamate
CID 146021302

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate (CID 102546900) is tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(SC(C)(C)C)nc1.
What is the InChIKey of tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate?
The InChIKey is SRHKOVDGOSTFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-14(2,3)19-13(18)17-10-11-7-8-12(16-9-11)20-15(4,5)6/h7-9H,10H2,1-6H3,(H,17,18).
What are the key properties of tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate?
tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate has a molecular weight of 296.44 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate is sourced from PubChem (CID 102546900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).