2,2-dimethyl-5-thiophen-2-ylsulfinylpentanenitrile

C11H15NOS2 — CID 65262840

IUPAC2,2-dimethyl-5-thiophen-2-ylsulfinylpentanenitrile
SMILESCC(C)(C#N)CCCS(=O)c1cccs1
InChIInChI=1S/C11H15NOS2/c1-11(2,9-12)6-4-8-15(13)10-5-3-7-14-10/h3,5,7H,4,6,8H2,1-2H3
InChIKeyRYJZHVKNBAKDKP-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.19
Rot. Bonds5

About 2,2-dimethyl-5-thiophen-2-ylsulfinylpentanenitrile

2,2-dimethyl-5-thiophen-2-ylsulfinylpentanenitrile (PubChem CID 65262840) has the molecular formula C11H15NOS2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 2,2-dimethyl-5-thiophen-2-ylsulfinylpentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-thiophen-2-ylsulfinylpentanenitrile
PubChem CID65262840
Molecular FormulaC11H15NOS2
Molecular Weight241.38 g/mol
Exact Mass241.06
IUPAC Name2,2-dimethyl-5-thiophen-2-ylsulfinylpentanenitrile
SMILESCC(C)(C#N)CCCS(=O)c1cccs1
InChIInChI=1S/C11H15NOS2/c1-11(2,9-12)6-4-8-15(13)10-5-3-7-14-10/h3,5,7H,4,6,8H2,1-2H3
InChIKeyRYJZHVKNBAKDKP-UHFFFAOYSA-N
XLogP3.19
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-tert-butylphenyl)sulfinyl-2,2-dimethylpentanenitrile
CID 65262891
2,2-dimethyl-4-thiophen-2-ylsulfinylbutan-1-amine
CID 81328342
2,2-dimethyl-5-naphthalen-2-ylsulfinylpentanenitrile
CID 65263190
2,2-dimethyl-5-methylsulfinylpentanenitrile
CID 65263343
5-(2,4-difluorophenyl)sulfinyl-2,2-dimethylpentanenitrile
CID 65262989
N-propyl-3-thiophen-2-ylsulfinylpropan-1-amine
CID 64654040
N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine
CID 64652385
2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile
CID 106709914
2,2-dimethyl-6-(4-methylsulfonylphenyl)sulfinylhexanenitrile
CID 106714711
2,2-dimethyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]pentanenitrile
CID 80526708
2,2-dimethyl-4-(2-thiophen-2-ylethylamino)butanenitrile
CID 65248968
1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one
CID 64638878

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-thiophen-2-ylsulfinylpentanenitrile?
The IUPAC name of 2,2-dimethyl-5-thiophen-2-ylsulfinylpentanenitrile (CID 65262840) is 2,2-dimethyl-5-thiophen-2-ylsulfinylpentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-thiophen-2-ylsulfinylpentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-thiophen-2-ylsulfinylpentanenitrile is CC(C)(C#N)CCCS(=O)c1cccs1.
What is the InChIKey of 2,2-dimethyl-5-thiophen-2-ylsulfinylpentanenitrile?
The InChIKey is RYJZHVKNBAKDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS2/c1-11(2,9-12)6-4-8-15(13)10-5-3-7-14-10/h3,5,7H,4,6,8H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-thiophen-2-ylsulfinylpentanenitrile?
2,2-dimethyl-5-thiophen-2-ylsulfinylpentanenitrile has a molecular weight of 241.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-thiophen-2-ylsulfinylpentanenitrile is sourced from PubChem (CID 65262840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).