(5-ethylsulfonyl-2-pyridinyl)methyl carbamate

C9H12N2O4S — CID 175147070

IUPAC(5-ethylsulfonyl-2-pyridinyl)methyl carbamate
SMILESCCS(=O)(=O)c1ccc(COC(N)=O)nc1
InChIInChI=1S/C9H12N2O4S/c1-2-16(13,14)8-4-3-7(11-5-8)6-15-9(10)12/h3-5H,2,6H2,1H3,(H2,10,12)
InChIKeyVXCHBONUXNZOJU-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.47
Rot. Bonds4

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

(5-ethylsulfonyl-2-pyridinyl)methyl carbamate (PubChem CID 175147070) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is (5-ethylsulfonyl-2-pyridinyl)methyl carbamate.

Molecular Properties

Compound Name(5-ethylsulfonyl-2-pyridinyl)methyl carbamate
PubChem CID175147070
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name(5-ethylsulfonyl-2-pyridinyl)methyl carbamate
SMILESCCS(=O)(=O)c1ccc(COC(N)=O)nc1
InChIInChI=1S/C9H12N2O4S/c1-2-16(13,14)8-4-3-7(11-5-8)6-15-9(10)12/h3-5H,2,6H2,1H3,(H2,10,12)
InChIKeyVXCHBONUXNZOJU-UHFFFAOYSA-N
XLogP0.47
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-ethylsulfonyl-2-pyridinyl)methyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-ethylsulfonyl-2-pyridinyl)methyl carbamate?
The IUPAC name of (5-ethylsulfonyl-2-pyridinyl)methyl carbamate (CID 175147070) is (5-ethylsulfonyl-2-pyridinyl)methyl carbamate.
What is the SMILES notation for (5-ethylsulfonyl-2-pyridinyl)methyl carbamate?
The canonical SMILES for (5-ethylsulfonyl-2-pyridinyl)methyl carbamate is CCS(=O)(=O)c1ccc(COC(N)=O)nc1.
What is the InChIKey of (5-ethylsulfonyl-2-pyridinyl)methyl carbamate?
The InChIKey is VXCHBONUXNZOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-2-16(13,14)8-4-3-7(11-5-8)6-15-9(10)12/h3-5H,2,6H2,1H3,(H2,10,12).
What are the key properties of (5-ethylsulfonyl-2-pyridinyl)methyl carbamate?
(5-ethylsulfonyl-2-pyridinyl)methyl carbamate has a molecular weight of 244.27 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylsulfonyl-2-pyridinyl)methyl carbamate is sourced from PubChem (CID 175147070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).