tert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate

C12H19N3O2S — CID 175684385

IUPACtert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate
SMILESCS(C)=Nc1cccc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H19N3O2S/c1-12(2,3)17-11(16)14-9-7-6-8-10(13-9)15-18(4)5/h6-8H,1-5H3,(H,13,14,16)
InChIKeyDGLAHWKZKMMQFT-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.12
Rot. Bonds2

About tert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate

tert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate (PubChem CID 175684385) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is tert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate
PubChem CID175684385
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Nametert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate
SMILESCS(C)=Nc1cccc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H19N3O2S/c1-12(2,3)17-11(16)14-9-7-6-8-10(13-9)15-18(4)5/h6-8H,1-5H3,(H,13,14,16)
InChIKeyDGLAHWKZKMMQFT-UHFFFAOYSA-N
XLogP3.12
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558
tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
CID 178156276
tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate
CID 140879192
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 19349079
tert-butyl N-[7-[[3-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-naphthyridin-2-yl]carbamoyl]benzoyl]amino]-1,8-naphthyridin-2-yl]carbamate
CID 102215304
tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate
CID 102215306
tert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate
CID 171682686
tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate
CID 166911253
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]carbamate
CID 59166177
tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate
CID 140956975
tert-butyl N-(5-bromo-6-methoxy-2-pyridinyl)carbamate
CID 156516754

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate (CID 175684385) is tert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate is CS(C)=Nc1cccc(NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate?
The InChIKey is DGLAHWKZKMMQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-12(2,3)17-11(16)14-9-7-6-8-10(13-9)15-18(4)5/h6-8H,1-5H3,(H,13,14,16).
What are the key properties of tert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate?
tert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate has a molecular weight of 269.37 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate is sourced from PubChem (CID 175684385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).