[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

Pyridinium, 1,2-dimethyl-5-hydroxy-, bromide, dimethylcarbamate (ester)
CID 3051581
3-methoxy-2-[(E)-2-[(3-methoxy-2-pyridinyl)sulfonyl]ethenyl]pyridine
CID 172461309
Methyl-3-pyridyl carbaMate
CID 54131118
N-[(5-ethoxy-2-pyridinyl)methyl]-N-methylpropane-1-sulfonamide
CID 71971970
6-((Hydroxyimino)methyl)-3-pyridinyl diethylcarbamate
CID 135499213
3-(Difluoromethoxy)-2-(methylsulfonylmethyl)pyridine
CID 67384844
[6-(Trifluoromethyl)pyridin-3-yl] carbamate
CID 69179111
Phenyl 5-fluoro-6-(2-(methylsulfonyl)ethyl)pyridin-3-ylcarbamate
CID 86676129
5-(Difluoromethoxy)-2-ethyl-3-methylsulfonylpyridine
CID 118464126
(Z)-2-ethylsulfonyl-1-[5-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-yl]ethenamine
CID 122467211
(Z)-2-ethylsulfonyl-1-[5-(2,2,3,3-tetrafluoropropoxy)pyridin-2-yl]ethenamine
CID 122467215
(Z)-1-[5-(2,2-difluoropropoxy)-2-pyridinyl]-2-ethylsulfonylethenamine
CID 134166753

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).