[6-(2-methylsulfonylethyl)-3-pyridinyl] carbamate

C9H12N2O4S — CID 175000782

IUPAC[6-(2-methylsulfonylethyl)-3-pyridinyl] carbamate
SMILESCS(=O)(=O)CCc1ccc(OC(N)=O)cn1
InChIInChI=1S/C9H12N2O4S/c1-16(13,14)5-4-7-2-3-8(6-11-7)15-9(10)12/h2-3,6H,4-5H2,1H3,(H2,10,12)
InChIKeyCHRFDFQGEHIEKM-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.13
Rot. Bonds4

About [6-(2-methylsulfonylethyl)-3-pyridinyl] carbamate

[6-(2-methylsulfonylethyl)-3-pyridinyl] carbamate (PubChem CID 175000782) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is [6-(2-methylsulfonylethyl)-3-pyridinyl] carbamate.

Molecular Properties

Compound Name[6-(2-methylsulfonylethyl)-3-pyridinyl] carbamate
PubChem CID175000782
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name[6-(2-methylsulfonylethyl)-3-pyridinyl] carbamate
SMILESCS(=O)(=O)CCc1ccc(OC(N)=O)cn1
InChIInChI=1S/C9H12N2O4S/c1-16(13,14)5-4-7-2-3-8(6-11-7)15-9(10)12/h2-3,6H,4-5H2,1H3,(H2,10,12)
InChIKeyCHRFDFQGEHIEKM-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-tert-butyl-3-pyridinyl) carbamate
CID 175536069
2-(bromomethyl)-5-(3-methylsulfonylpropoxy)pyridine
CID 79799571
(6-formyl-3-pyridinyl) carbamate
CID 175352673
[6-(dimethylcarbamoyl)-3-pyridinyl] carbamate
CID 150452419
(5-methylsulfonyl-2-pyridinyl)methyl carbamate
CID 175103370
[6-(trifluoromethyl)-3-pyridinyl] carbamate
CID 69179111
3-(5-phenylmethoxy-2-pyridinyl)propanamide
CID 167598838
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]acetamide
CID 79800080
(6-thiophen-2-yl-3-pyridinyl) carbamate
CID 139580211
[6-(2-methylphenyl)-3-pyridinyl] carbamate
CID 175536018
1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine
CID 79795841
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]propanamide
CID 79796082

Frequently Asked Questions

What is the IUPAC name of [6-(2-methylsulfonylethyl)-3-pyridinyl] carbamate?
The IUPAC name of [6-(2-methylsulfonylethyl)-3-pyridinyl] carbamate (CID 175000782) is [6-(2-methylsulfonylethyl)-3-pyridinyl] carbamate.
What is the SMILES notation for [6-(2-methylsulfonylethyl)-3-pyridinyl] carbamate?
The canonical SMILES for [6-(2-methylsulfonylethyl)-3-pyridinyl] carbamate is CS(=O)(=O)CCc1ccc(OC(N)=O)cn1.
What is the InChIKey of [6-(2-methylsulfonylethyl)-3-pyridinyl] carbamate?
The InChIKey is CHRFDFQGEHIEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-16(13,14)5-4-7-2-3-8(6-11-7)15-9(10)12/h2-3,6H,4-5H2,1H3,(H2,10,12).
What are the key properties of [6-(2-methylsulfonylethyl)-3-pyridinyl] carbamate?
[6-(2-methylsulfonylethyl)-3-pyridinyl] carbamate has a molecular weight of 244.27 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylsulfonylethyl)-3-pyridinyl] carbamate is sourced from PubChem (CID 175000782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).