tert-butyl N-(5-fluoro-6-sulfanylidene-1H-pyridin-2-yl)carbamate

C10H13FN2O2S — CID 172716327

IUPACtert-butyl N-(5-fluoro-6-sulfanylidene-1H-pyridin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)c(=S)[nH]1
InChIInChI=1S/C10H13FN2O2S/c1-10(2,3)15-9(14)13-7-5-4-6(11)8(16)12-7/h4-5H,1-3H3,(H2,12,13,14,16)
InChIKeyFXHFJIYCGYVKSY-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.23
Rot. Bonds1

About tert-butyl N-(5-fluoro-6-sulfanylidene-1H-pyridin-2-yl)carbamate

tert-butyl N-(5-fluoro-6-sulfanylidene-1H-pyridin-2-yl)carbamate (PubChem CID 172716327) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl N-(5-fluoro-6-sulfanylidene-1H-pyridin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-fluoro-6-sulfanylidene-1H-pyridin-2-yl)carbamate
PubChem CID172716327
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Nametert-butyl N-(5-fluoro-6-sulfanylidene-1H-pyridin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)c(=S)[nH]1
InChIInChI=1S/C10H13FN2O2S/c1-10(2,3)15-9(14)13-7-5-4-6(11)8(16)12-7/h4-5H,1-3H3,(H2,12,13,14,16)
InChIKeyFXHFJIYCGYVKSY-UHFFFAOYSA-N
XLogP3.23
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 68582591
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CID 175713115
CID 175713115
tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
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tert-butyl N-[5-(aminomethyl)-2-fluorophenyl]carbamate
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tert-butyl N-(2-chlorosulfonyl-3-fluorophenyl)carbamate
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tert-butyl N-(3-amino-6-fluoro-2-hydroxyphenyl)carbamate
CID 135394494
tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate
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tert-butyl N-(2,5-dichlorophenyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-fluoro-6-sulfanylidene-1H-pyridin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-fluoro-6-sulfanylidene-1H-pyridin-2-yl)carbamate (CID 172716327) is tert-butyl N-(5-fluoro-6-sulfanylidene-1H-pyridin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-fluoro-6-sulfanylidene-1H-pyridin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-fluoro-6-sulfanylidene-1H-pyridin-2-yl)carbamate is CC(C)(C)OC(=O)Nc1ccc(F)c(=S)[nH]1.
What is the InChIKey of tert-butyl N-(5-fluoro-6-sulfanylidene-1H-pyridin-2-yl)carbamate?
The InChIKey is FXHFJIYCGYVKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c1-10(2,3)15-9(14)13-7-5-4-6(11)8(16)12-7/h4-5H,1-3H3,(H2,12,13,14,16).
What are the key properties of tert-butyl N-(5-fluoro-6-sulfanylidene-1H-pyridin-2-yl)carbamate?
tert-butyl N-(5-fluoro-6-sulfanylidene-1H-pyridin-2-yl)carbamate has a molecular weight of 244.29 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-fluoro-6-sulfanylidene-1H-pyridin-2-yl)carbamate is sourced from PubChem (CID 172716327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).