2-(2-methylsulfinylethyl)bicyclo[2.2.1]heptane-2-carbonitrile

C11H17NOS — CID 130791869

IUPAC2-(2-methylsulfinylethyl)bicyclo[2.2.1]heptane-2-carbonitrile
SMILESCS(=O)CCC1(C#N)CC2CCC1C2
InChIInChI=1S/C11H17NOS/c1-14(13)5-4-11(8-12)7-9-2-3-10(11)6-9/h9-10H,2-7H2,1H3
InChIKeyVSLUYHAKSNBABN-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.08
Rot. Bonds3

About 2-(2-methylsulfinylethyl)bicyclo[2.2.1]heptane-2-carbonitrile

2-(2-methylsulfinylethyl)bicyclo[2.2.1]heptane-2-carbonitrile (PubChem CID 130791869) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(2-methylsulfinylethyl)bicyclo[2.2.1]heptane-2-carbonitrile.

Molecular Properties

Compound Name2-(2-methylsulfinylethyl)bicyclo[2.2.1]heptane-2-carbonitrile
PubChem CID130791869
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(2-methylsulfinylethyl)bicyclo[2.2.1]heptane-2-carbonitrile
SMILESCS(=O)CCC1(C#N)CC2CCC1C2
InChIInChI=1S/C11H17NOS/c1-14(13)5-4-11(8-12)7-9-2-3-10(11)6-9/h9-10H,2-7H2,1H3
InChIKeyVSLUYHAKSNBABN-UHFFFAOYSA-N
XLogP2.08
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[2.2.1]heptane-2-carbonitrile
CID 116627814
2-pentan-2-ylbicyclo[2.2.1]heptane-2-carbonitrile
CID 130514472
2-methyl-2-propylbicyclo[2.2.1]heptane
CID 20587119
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 54205638
3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane
CID 130856145
2-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 65019888
2-(2-propan-2-ylsulfonylethyl)bicyclo[2.2.1]heptan-2-amine
CID 106733831
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260
10-methyl-4,6-dioxo-5-azatricyclo[7.2.2.03,7]tridecane-10-carbonitrile
CID 166893192
2-(3-hydroxybutan-2-yloxy)bicyclo[2.2.1]heptane-2-carbonitrile
CID 103376207
1-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)propan-2-one
CID 130036822
2-ethyl-2-iodobicyclo[2.2.1]heptane
CID 142982397

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfinylethyl)bicyclo[2.2.1]heptane-2-carbonitrile?
The IUPAC name of 2-(2-methylsulfinylethyl)bicyclo[2.2.1]heptane-2-carbonitrile (CID 130791869) is 2-(2-methylsulfinylethyl)bicyclo[2.2.1]heptane-2-carbonitrile.
What is the SMILES notation for 2-(2-methylsulfinylethyl)bicyclo[2.2.1]heptane-2-carbonitrile?
The canonical SMILES for 2-(2-methylsulfinylethyl)bicyclo[2.2.1]heptane-2-carbonitrile is CS(=O)CCC1(C#N)CC2CCC1C2.
What is the InChIKey of 2-(2-methylsulfinylethyl)bicyclo[2.2.1]heptane-2-carbonitrile?
The InChIKey is VSLUYHAKSNBABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-14(13)5-4-11(8-12)7-9-2-3-10(11)6-9/h9-10H,2-7H2,1H3.
What are the key properties of 2-(2-methylsulfinylethyl)bicyclo[2.2.1]heptane-2-carbonitrile?
2-(2-methylsulfinylethyl)bicyclo[2.2.1]heptane-2-carbonitrile has a molecular weight of 211.33 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfinylethyl)bicyclo[2.2.1]heptane-2-carbonitrile is sourced from PubChem (CID 130791869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).