1-(2-bromophenyl)sulfinylcyclopentane-1-carbonitrile

C12H12BrNOS — CID 138711954

IUPAC1-(2-bromophenyl)sulfinylcyclopentane-1-carbonitrile
SMILESN#CC1(S(=O)c2ccccc2Br)CCCC1
InChIInChI=1S/C12H12BrNOS/c13-10-5-1-2-6-11(10)16(15)12(9-14)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2
InChIKeyYYSCWUBSRKFVPT-UHFFFAOYSA-N
MW298.20 g/mol
LogP3.39
Rot. Bonds2

About 1-(2-bromophenyl)sulfinylcyclopentane-1-carbonitrile

1-(2-bromophenyl)sulfinylcyclopentane-1-carbonitrile (PubChem CID 138711954) has the molecular formula C12H12BrNOS and a molecular weight of 298.20 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfinylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfinylcyclopentane-1-carbonitrile
PubChem CID138711954
Molecular FormulaC12H12BrNOS
Molecular Weight298.20 g/mol
Exact Mass296.98
IUPAC Name1-(2-bromophenyl)sulfinylcyclopentane-1-carbonitrile
SMILESN#CC1(S(=O)c2ccccc2Br)CCCC1
InChIInChI=1S/C12H12BrNOS/c13-10-5-1-2-6-11(10)16(15)12(9-14)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2
InChIKeyYYSCWUBSRKFVPT-UHFFFAOYSA-N
XLogP3.39
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfinylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(2-bromophenyl)sulfinylcyclopentane-1-carbonitrile (CID 138711954) is 1-(2-bromophenyl)sulfinylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(2-bromophenyl)sulfinylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(2-bromophenyl)sulfinylcyclopentane-1-carbonitrile is N#CC1(S(=O)c2ccccc2Br)CCCC1.
What is the InChIKey of 1-(2-bromophenyl)sulfinylcyclopentane-1-carbonitrile?
The InChIKey is YYSCWUBSRKFVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c13-10-5-1-2-6-11(10)16(15)12(9-14)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 1-(2-bromophenyl)sulfinylcyclopentane-1-carbonitrile?
1-(2-bromophenyl)sulfinylcyclopentane-1-carbonitrile has a molecular weight of 298.20 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfinylcyclopentane-1-carbonitrile is sourced from PubChem (CID 138711954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).