(5-methylsulfonyl-2-pyridinyl)methyl carbamate

C8H10N2O4S — CID 175103370

IUPAC(5-methylsulfonyl-2-pyridinyl)methyl carbamate
SMILESCS(=O)(=O)c1ccc(COC(N)=O)nc1
InChIInChI=1S/C8H10N2O4S/c1-15(12,13)7-3-2-6(10-4-7)5-14-8(9)11/h2-4H,5H2,1H3,(H2,9,11)
InChIKeyFCGYNKCJRZYMHQ-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.08
Rot. Bonds3

About (5-methylsulfonyl-2-pyridinyl)methyl carbamate

(5-methylsulfonyl-2-pyridinyl)methyl carbamate (PubChem CID 175103370) has the molecular formula C8H10N2O4S and a molecular weight of 230.25 g/mol. Its IUPAC name is (5-methylsulfonyl-2-pyridinyl)methyl carbamate.

Molecular Properties

Compound Name(5-methylsulfonyl-2-pyridinyl)methyl carbamate
PubChem CID175103370
Molecular FormulaC8H10N2O4S
Molecular Weight230.25 g/mol
Exact Mass230.04
IUPAC Name(5-methylsulfonyl-2-pyridinyl)methyl carbamate
SMILESCS(=O)(=O)c1ccc(COC(N)=O)nc1
InChIInChI=1S/C8H10N2O4S/c1-15(12,13)7-3-2-6(10-4-7)5-14-8(9)11/h2-4H,5H2,1H3,(H2,9,11)
InChIKeyFCGYNKCJRZYMHQ-UHFFFAOYSA-N
XLogP0.08
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methylsulfonyl-2-pyridinyl)methyl carbamate?
The IUPAC name of (5-methylsulfonyl-2-pyridinyl)methyl carbamate (CID 175103370) is (5-methylsulfonyl-2-pyridinyl)methyl carbamate.
What is the SMILES notation for (5-methylsulfonyl-2-pyridinyl)methyl carbamate?
The canonical SMILES for (5-methylsulfonyl-2-pyridinyl)methyl carbamate is CS(=O)(=O)c1ccc(COC(N)=O)nc1.
What is the InChIKey of (5-methylsulfonyl-2-pyridinyl)methyl carbamate?
The InChIKey is FCGYNKCJRZYMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-15(12,13)7-3-2-6(10-4-7)5-14-8(9)11/h2-4H,5H2,1H3,(H2,9,11).
What are the key properties of (5-methylsulfonyl-2-pyridinyl)methyl carbamate?
(5-methylsulfonyl-2-pyridinyl)methyl carbamate has a molecular weight of 230.25 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfonyl-2-pyridinyl)methyl carbamate is sourced from PubChem (CID 175103370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).