(2-sulfanylidene-1-pyridinyl) N-acetyl-N-methylcarbamate

C9H10N2O3S — CID 11075096

IUPAC(2-sulfanylidene-1-pyridinyl) N-acetyl-N-methylcarbamate
SMILESCC(=O)N(C)C(=O)On1ccccc1=S
InChIInChI=1S/C9H10N2O3S/c1-7(12)10(2)9(13)14-11-6-4-3-5-8(11)15/h3-6H,1-2H3
InChIKeyOWIKBCYVJKJZGN-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.24
Rot. Bonds1

About (2-sulfanylidene-1-pyridinyl) N-acetyl-N-methylcarbamate

(2-sulfanylidene-1-pyridinyl) N-acetyl-N-methylcarbamate (PubChem CID 11075096) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is (2-sulfanylidene-1-pyridinyl) N-acetyl-N-methylcarbamate.

Molecular Properties

Compound Name(2-sulfanylidene-1-pyridinyl) N-acetyl-N-methylcarbamate
PubChem CID11075096
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name(2-sulfanylidene-1-pyridinyl) N-acetyl-N-methylcarbamate
SMILESCC(=O)N(C)C(=O)On1ccccc1=S
InChIInChI=1S/C9H10N2O3S/c1-7(12)10(2)9(13)14-11-6-4-3-5-8(11)15/h3-6H,1-2H3
InChIKeyOWIKBCYVJKJZGN-UHFFFAOYSA-N
XLogP1.24
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(2-sulfanylidene-1-pyridinyl) benzene-1,4-dicarboxylate
CID 122591707
(2-sulfanylidene-1-pyridinyl) 3-methyl-2-phenylbut-2-enoate
CID 10708273
(2-sulfanylidene-1-pyridinyl) 3,3-dimethylbutanoate
CID 71321556
(2-sulfanylidene-1-pyridinyl) N-butyl-N-(2-methylpropanoyl)carbamate
CID 14921558
(2-sulfanylidene-1-pyridinyl) (3E)-5-methylhexa-3,5-dienoate
CID 102356414
1-ethoxypyridine-2-thione
CID 15326041
1-O-(2-oxo-1-pyridinyl) 5-O-(2-sulfanylidene-1-pyridinyl) pentanedioate
CID 129117690
(2-sulfanylidene-1-pyridinyl) (3E,5E)-2,2-dimethylhepta-3,5-dienoate
CID 143783303
1-O-(2-oxo-1-pyridinyl) 7-O-(2-sulfanylidene-1-pyridinyl) heptanedioate
CID 129117687
(2-sulfanylidene-1-pyridinyl) 2,2-dimethylundecanoate
CID 100956559
(2-sulfanylidene-1-pyridinyl) 3-cyanobicyclo[1.1.1]pentane-1-carboxylate
CID 10467090
(2-sulfanylidene-1-pyridinyl) 5-(tert-butyldisulfanyl)pentanoate
CID 10336832

Frequently Asked Questions

What is the IUPAC name of (2-sulfanylidene-1-pyridinyl) N-acetyl-N-methylcarbamate?
The IUPAC name of (2-sulfanylidene-1-pyridinyl) N-acetyl-N-methylcarbamate (CID 11075096) is (2-sulfanylidene-1-pyridinyl) N-acetyl-N-methylcarbamate.
What is the SMILES notation for (2-sulfanylidene-1-pyridinyl) N-acetyl-N-methylcarbamate?
The canonical SMILES for (2-sulfanylidene-1-pyridinyl) N-acetyl-N-methylcarbamate is CC(=O)N(C)C(=O)On1ccccc1=S.
What is the InChIKey of (2-sulfanylidene-1-pyridinyl) N-acetyl-N-methylcarbamate?
The InChIKey is OWIKBCYVJKJZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-7(12)10(2)9(13)14-11-6-4-3-5-8(11)15/h3-6H,1-2H3.
What are the key properties of (2-sulfanylidene-1-pyridinyl) N-acetyl-N-methylcarbamate?
(2-sulfanylidene-1-pyridinyl) N-acetyl-N-methylcarbamate has a molecular weight of 226.26 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-sulfanylidene-1-pyridinyl) N-acetyl-N-methylcarbamate is sourced from PubChem (CID 11075096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).