(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

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Related Compounds

[1-[3-(Carbamoylsulfamoyl)-2-pyridinyl]-2-fluoroethyl] acetate
CID 17875536
2-(1-Acetoxy-2-fluoroethyl)-3-pyridinesulfonamide
CID 19377392
2-(1-acetoxy-2-fluoroethyl)-N-t-butyl-3-pyridinesulfonamide
CID 19377396
[2-Fluoro-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate
CID 23217020
[1-[3-(Tert-butylsulfamoyl)-2-pyridinyl]-2-fluoropropyl] acetate
CID 23217021
[2-Fluoro-1-(3-sulfamoyl-2-pyridinyl)butyl] acetate
CID 23228231
[2-Fluoro-1-methoxy-1-(3-sulfamoyl-2-pyridinyl)propyl] acetate
CID 23508749
2-(1-Acetyloxy-2-fluoropropyl)pyridine-3-sulfinate
CID 57049480
[1-[3-(Tert-butylsulfamoyl)-2-pyridinyl]-2-fluorobutyl] acetate
CID 70194181
2-(5-Fluoro-2-pyridinyl)-2-methoxyethanesulfonamide
CID 122701497
2-(3-Ethylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)-3a,4-dihydro-1,3-benzoxazole
CID 163838090
(8E)-6-(1,1-difluoropropylsulfonyl)-2-(3-ethylsulfonyl-2-pyridinyl)-4-methyl-10H-1,3-oxazecine
CID 173894512

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).